SCHEMBL12201657

SCHEMBL12201657

CC(C)NC[C@H]1CCCO1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 4/20 0.44
TP53 P04637 1/20 0.44
ALOX12 P18054 1/20 0.44
ANPEP P15144 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL12201638 1.00 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL105301 1.00 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL9684500 0.94 KMT2A (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL8795712 0.86 USP2 (0.46) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL28463566 0.86 ANPEP (0.47) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL14018975 0.86 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL6846193 0.86 USP2 (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL23781483 0.83 ANPEP (0.42) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL20093612 0.83 USP2 (0.40) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL15671001 0.83 ANPEP (0.45) USP2SMN1; SMN2HPGDTP53ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2023-01-19 US disclosed
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES ERASCA, INC. 2021-09-23 US disclosed
US-11071730-B2 Substituted 6-azabenzimidazole compounds GILEAD SCIENCES, INC. (US) 2021-07-27 US disclosed
US-20200171020-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2020-06-04 US disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 US disclosed
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-7605273-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 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 (9 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-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 USP2 3980/4885SMN1; SMN2 3120/4885HPGD 1476/4885
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 USP2 3980/4885SMN1; SMN2 3120/4885HPGD 1476/4885
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 USP2 4713/4885SMN1; SMN2 3634/4885HPGD 2268/4885
US-20210292330-A1 PYRROLIDINE-FUSED HETEROCYCLES SDHB, CCNI, SDHA USP2 3915/4885SMN1; SMN2 2108/4885HPGD 109/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 USP2 4713/4885SMN1; SMN2 3634/4885HPGD 2268/4885
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT USP2 1814/4885SMN1; SMN2 1776/4885HPGD 784/4885
US-11071730-B2 Substituted 6-azabenzimidazole compounds CDK6, HIPK1, DCK USP2 2073/4885SMN1; SMN2 4077/4885HPGD 539/4885
US-20200171020-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK USP2 2073/4885SMN1; SMN2 4077/4885HPGD 539/4885
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK USP2 2073/4885SMN1; SMN2 4077/4885HPGD 539/4885

“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.