SCHEMBL6033876

SCHEMBL6033876

COC(=O)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.69
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
HTT P42858 1/20 0.58
CYP11B1 P15538 2/20 0.58
CYP11B2 P19099 2/20 0.58
TBXAS1 P24557 9/20 0.57

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
SCHEMBL10672549 0.87 TBXAS1 (0.73) CYP19A1NPC1POLBTBXAS1
SCHEMBL16684296 0.86 TBXAS1 (0.64) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL18180504 0.85 CYP19A1 (0.64) CYP19A1NPC1POLBCYP11B1CYP11B2
SCHEMBL20601870 0.84 CYP19A1 (0.66) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL10674009 0.83 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL12639833 0.83 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL10998867 0.82 CYP19A1 (0.62) CYP19A1NPC1POLBCYP11B1CYP11B2
SCHEMBL22064348 0.82 CYP19A1 (0.60) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL10674015 0.82 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL4701021 0.81 CYP19A1 (0.70) CYP19A1POLBCYP11B1CYP11B2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005563-A N-benzyl imidazole derivative and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed
US-9708279-B2 2-acylaminothiazoles for the treatment of cancer UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA (IT) 2017-07-18 US disclosed
US-9708279-B2 2-acylaminothiazoles for the treatment of cancer UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA (IT) 2017-07-18 US disclosed
US-9708279-B2 2-acylaminothiazoles for the treatment of cancer UNIVERSITÁ DEGLI STUDI DI MILANO—BICOCCA (IT) 2017-07-18 US disclosed
EP-3016948-B1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITÀ DEGLI STUDI DI MILANO - BICOCCA (IT) 2017-05-10 EP disclosed
EP-3016948-B1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITÀ DEGLI STUDI DI MILANO - BICOCCA (IT) 2017-05-10 EP disclosed
US-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITE' CLAUDE BERNARD LYON 1 (FR) 2016-09-08 US disclosed
US-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITE' CLAUDE BERNARD LYON 1 (FR) 2016-09-08 US disclosed
US-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER UNIVERSITE' CLAUDE BERNARD LYON 1 (FR) 2016-09-08 US disclosed
EP-3016948-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER Università Degli Studi Di Milano - Bicocca (IT) 2016-05-11 EP disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 US disclosed
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
CN-1168721-C 5-cyano-2-aminopyrimidine derivatives О 2004-09-29 CN disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
CN-1370152-A 5-cyano-2-aminopyrimidine derivatives CELLETECH CHIROSCIENCE LTD (GB) 2002-09-18 CN disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 WO disclosed
US-5294621-A Thieno tetrahydropyridines useful as class III antiarrhythmic agents ORTHO PHARMACEUTICAL CORPORATION (US) 1994-03-15 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 (4 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-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 CYP19A1 3062/4885NPC1 1943/4885POLB 2063/4885
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CYP19A1 350/4885NPC1 3120/4885POLB 832/4885
US-20160257658-A1 2-ACYLAMINOTHIAZOLES FOR THE TREATMENT OF CANCER ALK, ERBB2, ABL1 CYP19A1 1468/4885NPC1 2964/4885POLB 3321/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CYP19A1 371/4885NPC1 3160/4885POLB 837/4885

“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.