SCHEMBL20576237

SCHEMBL20576237

CCc1cc(-c2cc(NC(=O)Nc3ccc(OC4CCN(C)CC4)c(C(F)(F)F)c3)nn2C)cc2cnc(NC3CCC(N)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.46
▸ BRAF P15056 7/20 0.46
▸ FGFR1 P11362 1/20 0.41
▸ ABL1 P00519 3/20 0.38
▸ ABL2 P42684 2/20 0.38
▸ FLT3 P36888 4/20 0.37
▸ CHEK1 O14757 3/20 0.37
▸ KIT P10721 3/20 0.37
▸ RAF1 P04049 2/20 0.37
▸ ARAF P10398 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ FGFR4 P22455 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
SCHEMBL20576240 1.00 KDR (0.46) KDRBRAFFGFR1ABL1ABL2
SCHEMBL20576549 0.93 KDR (0.45) KDRBRAFFGFR1ABL1ABL2
SCHEMBL20576546 0.93 KDR (0.45) KDRBRAFFGFR1ABL1ABL2
SCHEMBL21298661 0.91 KDR (0.43) KDRBRAFFGFR1ABL1ABL2
SCHEMBL20576577 0.90 RORC (0.37) KDRBRAFFLT3CHEK1KIT
SCHEMBL21298643 0.90 RORC (0.37) KDRBRAFFLT3CHEK1KIT
SCHEMBL20576579 0.90 RORC (0.37) KDRBRAFFLT3CHEK1KIT
SCHEMBL21298632 0.89 KDR (0.49) KDRBRAFFGFR1ABL1ABL2
SCHEMBL20575949 0.88 FLT3 (0.36) KDRBRAFABL1ABL2FLT3
SCHEMBL20575947 0.88 FLT3 (0.36) KDRBRAFABL1ABL2FLT3

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 2 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 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 KDR 3965/4885BRAF 1396/4885FGFR1 3519/4885
US-20180346447-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 KDR 3965/4885BRAF 1396/4885FGFR1 3519/4885

“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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