SCHEMBL20575926

SCHEMBL20575926

CCc1cc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N)CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 8/20 0.43
▸ ADORA2B P29275 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ CDK1 P06493 1/20 0.39
▸ SMYD3 Q9H7B4 2/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ SYK P43405 1/20 0.37
▸ AXL P30530 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CSNK2A3 Q8NEV1 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CCR2 P41597 1/20 0.36

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
SCHEMBL20575924 1.00 RIPK1 (0.43) RIPK1ADORA2BADORA1CDK1SMYD3
SCHEMBL20576788 0.94 ADORA2B (0.43) RIPK1ADORA2BADORA1CDK1SMYD3
SCHEMBL20576791 0.94 ADORA2B (0.43) RIPK1ADORA2BADORA1CDK1SMYD3
SCHEMBL20576535 0.93 AXL (0.37) RIPK1ADORA2BADORA1CDK1CCNT1
SCHEMBL20576534 0.93 AXL (0.37) RIPK1ADORA2BADORA1CDK1CCNT1
SCHEMBL20576607 0.93 RIPK1 (0.41) RIPK1ADORA2BADORA1SMYD3SYK
SCHEMBL21298686 0.93 RIPK1 (0.41) RIPK1ADORA2BADORA1SMYD3SYK
SCHEMBL20576605 0.93 RIPK1 (0.41) RIPK1ADORA2BADORA1SMYD3SYK
SCHEMBL20576599 0.93 RIPK1 (0.41) RIPK1ADORA2BADORA1SMYD3SYK
SCHEMBL20576566 0.92 ADORA2B (0.43) RIPK1ADORA2BADORA1CDK1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — US claimed
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 — — US claimed
US-10392367-B2 IRE1 small molecule inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-08-27 — — US disclosed
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 — — 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 (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-10392367-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 RIPK1 691/4885ADORA2B 4605/4885ADORA1 4743/4885
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 RIPK1 691/4885ADORA2B 4605/4885ADORA1 4743/4885

“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.

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