SCHEMBL952440

SCHEMBL952440

[CH2]c1nccn1Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2D6 P10635 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
HSP90AA1 P07900 1/20 0.48
FDPS P14324 1/20 0.47
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
TNF P01375 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 3/20 0.44
BRD4 O60885 1/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL27512811 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2D6MEN1CYP2C19
SCHEMBL10446678 0.78 ALDH1A1 (0.54) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL1126356 0.77 HSD17B10 (0.51) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL19925275 0.77 HSD17B10 (0.51) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
Benzene SCHEMBL27902631 0.77 LMNA (0.63) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL81625 0.77 LMNA (0.63) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL6348986 0.77 HSD17B10 (0.51) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL11450426 0.77 HSD17B10 (0.51) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL3172460 0.77 HSD17B10 (0.51) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL7936687 0.77 HSP90AA1 (0.55) HSD17B10ALDH1A1CYP1A2CYP2D6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-0621037-B1 Pyrido-pyrimidinediones, process for their preparation and their use as pharmaceuticals HOECHST AG (DE) 1999-07-07 EP claimed
US-5556854-A CARDIOVASCULAR DISORDERS AND/OR NEUROGENERATIVE DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-17 US claimed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP claimed
EP-0621037-A1 Pyrido-pyrimidinediones, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-26 EP claimed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP claimed
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP disclosed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US disclosed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP disclosed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US disclosed
US-5556854-A CARDIOVASCULAR DISORDERS AND/OR NEUROGENERATIVE DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0373891-B1 Anti-tumour agents ICI PLC (GB) 1994-11-02 EP disclosed
EP-0621037-A1 Pyrido-pyrimidinediones, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-26 EP disclosed
US-5089499-A Anticarcinogenic agents; thymidylate synthetase inhibitors; antiallergens; psoriasis IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 US disclosed
EP-0373891-A2 Anti-tumour agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-06-20 EP 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 (2 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 HSD17B10 2654/4885ALDH1A1 2159/4885CYP1A2 4665/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K HSD17B10 2032/4885ALDH1A1 3535/4885CYP1A2 4602/4885

“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.