SCHEMBL14295949

SCHEMBL14295949

Nc1ncnc2c1c(Cc1cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c1)nn2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.53
▸ BTK Q06187 2/20 0.49
▸ SRC P12931 2/20 0.49
▸ JAK2 O60674 2/20 0.49
▸ JAK3 P52333 2/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ NR3C1 P04150 1/20 0.48
▸ KCNJ6 P48051 3/20 0.47
▸ KCNJ5 P48544 3/20 0.47
▸ KCNJ3 P48549 3/20 0.47
▸ AURKA O14965 4/20 0.46
▸ AURKB Q96GD4 4/20 0.46
▸ RIPK1 Q13546 2/20 0.46
▸ FLT1 P17948 4/20 0.46
▸ TEK Q02763 3/20 0.46
▸ KIT P10721 3/20 0.46
▸ LCK P06239 2/20 0.46
▸ LYN P07948 2/20 0.46
▸ FLT4 P35916 2/20 0.46
▸ FLT3 P36888 2/20 0.46

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
SCHEMBL1320583 0.94 KDR (0.56) KDRBTKSRCJAK2JAK3
SCHEMBL1317740 0.87 ABL1 (0.53) KDRBTKSRCJAK2JAK3
SCHEMBL12120703 0.86 KDR (0.54) KDRBTKSRCJAK2JAK3
SCHEMBL12120492 0.82 KDR (0.54) KDRSRCKCNJ6KCNJ5KCNJ3
SCHEMBL1321244 0.81 KDR (0.59) KDRSRCJAK2JAK3AURKA
SCHEMBL1319122 0.80 SRC (0.61) KDRSRCAURKAAURKBRIPK1
SCHEMBL12120466 0.79 SRC (0.52) KDRBTKSRCJAK2JAK3
SCHEMBL1320636 0.79 SRC (0.70) KDRSRCAURKAAURKBRIPK1
SCHEMBL12120455 0.79 KDR (0.67) KDRSRCJAK2JAK3AURKA
SCHEMBL1318792 0.77 SRC (0.62) KDRBTKSRCAURKAAURKB

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-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 — — US disclosed
US-8980899-B2 Methods of inhibiting Ire1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-03-17 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — 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 (1 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-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 KDR 4859/4885BTK 4429/4885SRC 4225/4885

“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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