SCHEMBL22145342

SCHEMBL22145342

COCCOc1ccc(NC(=O)c2cnc(Cl)nc2N(C)N)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PPARG P37231 2/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ NFKB1 P19838 2/20 0.37
▸ ATF1 P18846 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36

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
SCHEMBL22145341 0.86 KMT2A (0.45) F10KMT2AMEN1PPARGNR3C1
SCHEMBL22145716 0.84 NPC1 (0.50) KMT2AKDM4ENFKB1NPC1RAB9A
SCHEMBL22145719 0.79 NFKB1 (0.48) KMT2ANFKB1ATF1NPC1RAB9A
SCHEMBL24952254 0.78 RAB9A (0.47) KMT2AMEN1KDM4ENFKB1NPC1
SCHEMBL30202682 0.76 ALDH1A1 (0.46) KMT2AMEN1MAPK14KDM4ENFKB1
SCHEMBL24951831 0.76 ALDH1A1 (0.46) KMT2AMEN1MAPK14KDM4ENFKB1
SCHEMBL20558385 0.74 RXFP1 (0.46) NFKB1JUNNFKB2RELACHRNA7
SCHEMBL22145361 0.74 RXFP1 (0.39) KMT2AMEN1KDM4ENFKB1ATF1
SCHEMBL31737724 0.73 PDE4D (0.42) CHRNA7
SCHEMBL20558515 0.72 NFKB1 (0.54) KDM4ENFKB1ATF1JUNNFKB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (2 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 F10 2676/4885KMT2A 1861/4885MEN1 1692/4885
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 F10 2676/4885KMT2A 1861/4885MEN1 1692/4885

“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.

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