SCHEMBL15059403

SCHEMBL15059403

Cc1nc(Cl)cc(-c2cc(Cl)ccc2N)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.49
HSP90AB1 P08238 7/20 0.49
IDO1 P14902 4/20 0.47
AGPAT2 O15120 2/20 0.41
CYP3A4 P08684 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A2 P43354 1/20 0.39
HTT P42858 1/20 0.39
DYRK3 O43781 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
DYRK1A Q13627 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL27892358 0.87 HSP90AA1 (0.39) HSP90AA1HSP90AB1IDO1CYP3A4TSHR
SCHEMBL4277914 0.83 AGPAT2 (0.50) HSP90AA1HSP90AB1IDO1AGPAT2CYP3A4
SCHEMBL6589616 0.79 HSP90AA1 (0.65) HSP90AA1HSP90AB1SMN1; SMN2TDP1HTT
SCHEMBL4286846 0.78 ALDH1A1 (0.55) HSP90AA1HSP90AB1AGPAT2SMN1; SMN2ALDH1A1
SCHEMBL4282884 0.73 AGPAT2 (0.67) HSP90AA1HSP90AB1IDO1AGPAT2
SCHEMBL39774 0.72 IDO1 (0.50) HSP90AA1HSP90AB1IDO1CYP3A4SMN1; SMN2
SCHEMBL16753409 0.72 GSK3B (0.48) HSP90AA1HSP90AB1IDO1AGPAT2SMN1; SMN2
SCHEMBL11517368 0.71 TSHR (0.65) IDO1CYP3A4SMN1; SMN2TSHRALDH1A1
SCHEMBL30839728 0.71 TSHR (0.65) IDO1CYP3A4SMN1; SMN2TSHRALDH1A1
SCHEMBL6586882 0.70 HSP90AA1 (0.64) HSP90AA1HSP90AB1IDO1SMN1; SMN2ALDH1A1

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-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa ONO PHARMACEUTICAL CO., LTD. (JP) 2020-07-21 US disclosed
EP-3290413-B9 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2020-04-29 EP disclosed
EP-3290413-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2019-11-13 EP disclosed
EP-3290413-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2018-03-07 EP disclosed
EP-2794597-B1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO (JP) 2017-11-15 EP disclosed
US-20170305917-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2017-10-26 US disclosed
US-9732085-B2 Pyridinone and pyrimidinone derivatives as factor Xia ONO PHARMACEUTICAL CO., LTD. (JP) 2017-08-15 US disclosed
US-20150152112-A1 COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-04 US disclosed
EP-2794597-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO Pharmaceutical Co., Ltd. (JP) 2014-10-29 EP disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO 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-20150152112-A1 COMPOUNDS F11, F12, F10 HSP90AA1 4137/4885HSP90AB1 4271/4885IDO1 1666/4885
US-20170305917-A1 COMPOUNDS F11, F12, F10 HSP90AA1 4137/4885HSP90AB1 4271/4885IDO1 1666/4885
US-10717738-B2 Pyrimidinone and its derivatives inhibiting factor XIa F11, TFPI, F10 HSP90AA1 4477/4885HSP90AB1 4634/4885IDO1 1246/4885

“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.