SCHEMBL846556

SCHEMBL846556

COC(=O)NC(Cc1cn(Cc2ccccc2)cn1)C(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRHDE Q9UKU6 1/20 0.48
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ TRHR P34981 1/20 0.42
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ CPB2 Q96IY4 6/20 0.39
▸ SIRT2 Q8IXJ6 3/20 0.39
▸ KDM5A P29375 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM5B Q9UGL1 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CPB1 P15086 1/20 0.38
▸ CYP2E1 P05181 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2B6 P20813 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL8906686 1.00 TRHDE (0.48) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL755381 0.89 TRHDE (0.54) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL868827 0.88 TRHDE (0.48) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL14864806 0.88 TRHDE (0.48) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL14347589 0.87 TRHDE (0.52) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL847245 0.86 TRHDE (0.47) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL10228107 0.86 TRHDE (0.47) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL888799 0.86 TRHDE (0.47) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL16229730 0.85 TRHDE (0.48) TRHDECDK5CDK5R1TRHRADRB1
SCHEMBL19508750 0.83 KLK5 (0.51) TRHDESIRT2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822444-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 — — US disclosed
US-8796466-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-05 — — US disclosed
US-20120277266-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-11-01 — — US disclosed
US-8211928-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 — — US disclosed
US-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 — — US disclosed
US-20110237636-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-09-29 — — US disclosed
US-20110130433-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-06-02 — — US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 — — US disclosed
US-20110077280-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-03-31 — — US disclosed
US-20100249190-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-09-30 — — 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 (6 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-20110237636-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TRHDE 4841/4885CDK5 1235/4885CDK5R1 1078/4885
US-20100249190-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TRHDE 4841/4885CDK5 1235/4885CDK5R1 1078/4885
US-20110077280-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TRHDE 4841/4885CDK5 1235/4885CDK5R1 1078/4885
US-20110130433-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TRHDE 4841/4885CDK5 1235/4885CDK5R1 1078/4885
US-20120277266-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TRHDE 4841/4885CDK5 1235/4885CDK5R1 1078/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS TRHDE 4834/4885CDK5 1414/4885CDK5R1 1341/4885

“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.

Send feedback