SCHEMBL9922460

SCHEMBL9922460

COc1ccc2ccn(C)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
PTPN1 P18031 1/20 0.45
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
BRD4 O60885 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 2/20 0.43
PIM1 P11309 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 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
SCHEMBL31743094 0.86 KDM4E (0.49) TXNRD1TXNRD3TXNRD2CDK4CCND1
SCHEMBL9922451 0.86 KDM4E (0.49) TXNRD1TXNRD3TXNRD2CDK4CCND1
SCHEMBL31655715 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL22291406 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL22149411 0.77 HTR6 (0.47) MTNR1AMTNR1BNPC1MAPTRAB9A
SCHEMBL16328854 0.77 TNF (0.53) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL349421 0.77 CYP2A6 (0.42) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL31378640 0.77 CYP2A6 (0.42) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL28512873 0.76 MTNR1A (0.46) MTNR1AMTNR1BKDM4EHTR2C
SCHEMBL1037299 0.75 TNF (0.46) TXNRD1TXNRD3TXNRD2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069725-A Imidazopyridazine substituted benzene ring derivative, preparation method, pharmaceutical composition and application 上海赛默罗生物科技有限公司 2023-11-17 CN disclosed
US-20220048887-A1 IMPURITIES OF AMIDE-LIKE DERIVATIVES AND USE THEREOF NHWA PHARMA. CORPORATION (CN) 2022-02-17 US disclosed
US-20220048887-A1 IMPURITIES OF AMIDE-LIKE DERIVATIVES AND USE THEREOF NHWA PHARMA. CORPORATION (CN) 2022-02-17 US disclosed
EP-3901149-A1 IMPURITIES OF AMIDE DERIVATIVES AND USE THEREOF NHWA Pharma Corporation (CN) 2021-10-27 EP disclosed
EP-3901149-A1 IMPURITIES OF AMIDE DERIVATIVES AND USE THEREOF NHWA Pharma Corporation (CN) 2021-10-27 EP disclosed
CN-113195486-A Impurities of amide derivatives and application thereof 江苏恩华药业股份有限公司 2021-07-30 CN disclosed
WO-2020125580-A1 IMPURITIES OF AMIDE DERIVATIVES AND USE THEREOF 江苏恩华药业股份有限公司 2020-06-25 WO disclosed
WO-2020125580-A1 IMPURITIES OF AMIDE DERIVATIVES AND USE THEREOF 江苏恩华药业股份有限公司 2020-06-25 WO disclosed
CN-111320619-A Impurities of amide-like derivatives and application 江苏恩华药业股份有限公司 2020-06-23 CN disclosed
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 TXNRD1 878/4885TXNRD3 808/4885TXNRD2 244/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 TXNRD1 862/4885TXNRD3 1014/4885TXNRD2 333/4885
US-20220048887-A1 IMPURITIES OF AMIDE-LIKE DERIVATIVES AND USE THEREOF NOTUM, CYP51A1, HADHB TXNRD1 4667/4885TXNRD3 4562/4885TXNRD2 4069/4885

“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.