Sugi Predict

Sugi Predict / Compounds / SCHEMBL8322982

SCHEMBL8322982

SCHEMBL8322982

CC(C)(C)Nc1ccnc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 9/20 0.47
▸ SMARCA4 P51532 8/20 0.47
▸ GRM4 Q14833 1/20 0.39
▸ AR P10275 1/20 0.39
▸ RECQL P46063 1/20 0.38
▸ LOX P28300 1/20 0.38
▸ LOXL3 P58215 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ PIK3CA P42336 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL14184999 0.78 UHRF1 (0.46) SMARCA2SMARCA4
SCHEMBL30851415 0.77 — —
SCHEMBL883720 0.77 — —
SCHEMBL17465712 0.76 LOXL2 (0.38) ARLOXL2
SCHEMBL4635970 0.76 SMARCA2 (0.47) SMARCA2SMARCA4GRM4ARRECQL
Hydrochloric Acid SCHEMBL16860817 0.75 SMARCA2 (0.50) SMARCA2SMARCA4GRM4RECQLLOX
SCHEMBL14185014 0.74 PRKCI (0.47) AR
SCHEMBL9598470 0.74 SMARCA2 (0.66) SMARCA2SMARCA4ARNPC1RAB9A
SCHEMBL13900222 0.74 S1PR2 (0.45) NPC1RAB9A
SCHEMBL24119651 0.73 TGFBR1 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 — — US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 — — US disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 — — US disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 — — US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 — — US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 — — US disclosed
US-5959116-A 5-NITRO PYRIDINE-2,3-DICARBOXYLIC ACID ESTER CHEMICAL INTERMEDIATES MADE BY REACTING THE N-OXIDES OF PYRIDINE-2,3-DICARBOXYLIC ACID ESTERS WITH NITRIC ACID OR SODIUM NITRATE, THEN REMOVING THE N-OXIDE GROUP BASF AKTIENGESELLSCHAFT (DE) 1999-09-28 — — US disclosed
US-5571774-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-05 — — 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 (3 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 SMARCA2 4725/4885SMARCA4 4278/4885GRM4 1027/4885
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG SMARCA2 1220/4885SMARCA4 1138/4885GRM4 1082/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 SMARCA2 4725/4885SMARCA4 4278/4885GRM4 1027/4885

“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.