SCHEMBL9713259

SCHEMBL9713259

CC(C)(C)c1ccc(N)nn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
BCAT2 O15382 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 2/20 0.32
NOS1 P29475 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NCK1 P16333 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL47578 0.84 TSHR (0.38) KDM4EHSD17B10
SCHEMBL17298838 0.81 ALOX5AP (0.38) BCAT2KDM4EHSD17B10
SCHEMBL9713117 0.78
SCHEMBL12668141 0.76 TSHR (0.33) KDM4E
SCHEMBL1023820 0.75 CA2 (0.41) NOS3NOS2BCAT2KDM4EHSD17B10
SCHEMBL1255843 0.74
SCHEMBL31490392 0.74
SCHEMBL9924167 0.72 TRPV4 (0.39) KDM4E
SCHEMBL18401507 0.72 TSHR (0.31)
SCHEMBL9924170 0.72 ALOX5AP (0.34) KDM4E

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
EP-3638669-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
WO-2018228920-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO disclosed
EP-2635566-B1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP disclosed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-9926333-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2018-03-27 US disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof HELSINN HEALTHCARE SA (CH) 2017-09-28 US disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2010-05-27 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 NOS3 4705/4885NOS2 4718/4885BCAT2 4043/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 NOS3 4705/4885NOS2 4718/4885BCAT2 4043/4885
US-20170275301-A1 Benzenesulfonyl-Asymmetric Ureas and Medical Uses Thereof UTS2R, GHSR, GRPR NOS3 3132/4885NOS2 2912/4885BCAT2 253/4885
US-20100130490-A1 CSF-1R INHIBITORS,COMPOSITIONS, AND METHODS OF USE CSF1R, CSF3R, FLT3 NOS3 339/4885NOS2 529/4885BCAT2 1194/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 NOS3 233/4885NOS2 90/4885BCAT2 2595/4885

“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.