SCHEMBL4179872

SCHEMBL4179872

Nc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.72
ESR1 P03372 5/20 0.72
NR1H2 P55055 1/20 0.54
ABHD6 Q9BV23 4/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
PKM P14618 1/20 0.46
HSD17B3 P37058 1/20 0.44
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NOTUM Q6P988 1/20 0.40
BTK Q06187 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29754116 0.94 ESR1 (0.72) ESR2ESR1NR1H2ABHD6HDAC6
SCHEMBL1641841 0.94 ESR1 (0.72) ESR2ESR1NR1H2ABHD6HDAC6
Hydrochloric Acid SCHEMBL1639774 0.93 ESR1 (0.70) ESR2ESR1NR1H2ABHD6HDAC6
SCHEMBL373718 0.91 ESR1 (0.58) ESR2ESR1NR1H2ABHD6HDAC6
SCHEMBL5913288 0.88 ESR1 (0.54) ESR2ESR1NR1H2ABHD6HDAC6
SCHEMBL29986831 0.88 ESR1 (0.54) ESR2ESR1NR1H2ABHD6HDAC6
SCHEMBL3353692 0.86 ESR1 (0.60) ESR2ESR1NR1H2ABHD6HDAC6
SCHEMBL6962549 0.85 HDAC6 (0.65) ESR2ESR1NR1H2HDAC6HDAC8
SCHEMBL8176145 0.84 ESR2 (1.00) ESR2ESR1ABHD6HDAC6HDAC8
SCHEMBL25206226 0.82 ESR2 (0.76) ESR2ESR1ABHD6HDAC6HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015340-A1 COMPOUND INCLUDING 2,4-DIAMINOPYRIDINE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-01-15 US disclosed
WO-2025063645-A1 NOVEL COMPOUND HAVING INHIBITORY ACTIVITY AGAINST HPK1 AND MLK3, AND ANTICANCER COMPOSITION CONTAINING SAME (주)엠디바이오팜 2025-03-27 WO disclosed
EP-4520757-A1 COMPOUND INCLUDING 2,4-DIAMINOPYRIDINE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2025-03-12 EP disclosed
WO-2023214772-A1 COMPOUND INCLUDING 2,4-DIAMINOPYRIDINE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2023-11-09 WO disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-11-02 US disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2021-08-10 US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-06-25 US disclosed
WO-2018208132-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-11-15 WO disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-1869010-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11084824-B2 Pyrazolopyrimidine derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating cancer, autoimmune disease and brain disease containing the same as an active ingredient BTK, SYK, LCK ESR2 4806/4885ESR1 4753/4885NR1H2 4809/4885
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 ESR2 3298/4885ESR1 4202/4885NR1H2 3160/4885
US-20260015340-A1 COMPOUND INCLUDING 2,4-DIAMINOPYRIDINE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER MINK1, HK1, PDK3 ESR2 4253/4885ESR1 4614/4885NR1H2 459/4885
US-20230348399-A1 NOVEL PYRIMIDINE DERIVATIVE AND USE THEREOF LRRK2, PFKL, PDK3 ESR2 4460/4885ESR1 4638/4885NR1H2 2592/4885
US-20200199129-A1 PYRAZOLOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR USE IN PREVENTING OR TREATING CANCER, AUTOIMMUNE DISEASE AND BRAIN DISEASE CONTAINING THE SAME AS AN ACTIVE INGREDIENT BTK, SYK, LCK ESR2 4806/4885ESR1 4753/4885NR1H2 4809/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.