SCHEMBL20576249

SCHEMBL20576249

CCc1cc(-c2cc(NC(=O)Cc3ccc(Cl)c(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N)CC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.35
▸ KIT P10721 7/20 0.35
▸ CHEK1 O14757 6/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ CCNT1 O60563 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCND3 P30281 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ MNAT1 P51948 1/20 0.33

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
SCHEMBL20576247 1.00 FLT3 (0.35) FLT3KITCHEK1ADORA2BADORA1
SCHEMBL20576817 0.91 NTRK1 (0.37) FLT3KITCHEK1ADORA2BADORA1
SCHEMBL20576815 0.91 NTRK1 (0.37) FLT3KITCHEK1ADORA2BADORA1
SCHEMBL20576566 0.90 ADORA2B (0.43) FLT3KITCHEK1ADORA2BADORA1
SCHEMBL20576568 0.90 ADORA2B (0.43) FLT3KITCHEK1ADORA2BADORA1
SCHEMBL21350949 0.89 ABL1 (0.45) FLT3KITCDK8
SCHEMBL20575926 0.88 RIPK1 (0.43) ADORA2BADORA1CCNT1CDK1
SCHEMBL20575924 0.88 RIPK1 (0.43) ADORA2BADORA1CCNT1CDK1
SCHEMBL20576535 0.88 AXL (0.37) FLT3KITCHEK1ADORA2BADORA1
SCHEMBL20576534 0.88 AXL (0.37) FLT3KITCHEK1ADORA2BADORA1

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 FLT3 2637/4885KIT 4681/4885CHEK1 957/4885
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 FLT3 2637/4885KIT 4681/4885CHEK1 957/4885

“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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