SCHEMBL12120703

SCHEMBL12120703

Cc1cccc(NC(=O)Nc2cccc(Cc3nn(Cc4ccccc4)c4ncnc(N)c34)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 7/20 0.54
▸ SRC P12931 6/20 0.54
▸ AURKA O14965 1/20 0.54
▸ IKBKE Q14164 1/20 0.54
▸ AURKB Q96GD4 1/20 0.54
▸ TEK Q02763 3/20 0.53
▸ JAK2 O60674 3/20 0.52
▸ JAK3 P52333 3/20 0.52
▸ JAK1 P23458 1/20 0.52
▸ BTK Q06187 2/20 0.52
▸ PDGFRB P09619 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KIT P10721 3/20 0.46
▸ FLT3 P36888 1/20 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
SCHEMBL12120466 0.91 SRC (0.52) KDRSRCAURKAAURKBJAK2
SCHEMBL12120698 0.87 AURKA (0.67) KDRSRCAURKAIKBKEAURKB
SCHEMBL1320583 0.87 KDR (0.56) KDRSRCAURKAAURKBTEK
SCHEMBL12120714 0.87 KDR (0.52) KDRSRCAURKAIKBKEAURKB
SCHEMBL14295949 0.86 KDR (0.53) KDRSRCAURKAAURKBTEK
SCHEMBL12120704 0.85 SRC (0.75) KDRSRCAURKAIKBKEAURKB
SCHEMBL12120701 0.85 SRC (0.64) KDRSRCAURKAIKBKEAURKB
SCHEMBL12120715 0.82 SRC (0.65) KDRSRCAURKAIKBKEAURKB
SCHEMBL1317740 0.80 ABL1 (0.53) KDRSRCAURKAJAK2JAK3
SCHEMBL1318725 0.78 BTK (0.60) SRCJAK2JAK3JAK1BTK

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 3 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-20120322814-A1 METHODS OF INHIBITING IRE1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-20 — — US disclosed
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-10 — — 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-20120322814-A1 METHODS OF INHIBITING IRE1 XBP1, DNAJC10, HSPA5 KDR 4859/4885SRC 4225/4885AURKA 4253/4885
US-20110275651-A1 FUSED RING HETEROARYL KINASE INHIBITORS CNKSR1, MAP3K20, TTK KDR 837/4885SRC 180/4885AURKA 349/4885

“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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