SCHEMBL14731306

SCHEMBL14731306

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-c4csc5c(NC6CC6)ncnc45)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 9/20 0.65
SRC P12931 2/20 0.65
BCR P11274 7/20 0.63
BRAF P15056 5/20 0.58
DDR1 Q08345 2/20 0.55
DDR2 Q16832 2/20 0.55
NTRK1 P04629 1/20 0.55
NTRK3 Q16288 1/20 0.55
NTRK2 Q16620 1/20 0.55
EPHB2 P29323 1/20 0.54
NR2E1 Q9Y466 1/20 0.53
LDLR P01130 1/20 0.53
KIT P10721 1/20 0.53
PCSK9 Q8NBP7 1/20 0.53
MAP4K2 Q12851 1/20 0.53
RAF1 P04049 1/20 0.52

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
SCHEMBL14731295 0.92 ABL1 (0.57) ABL1SRCBCRBRAFDDR1
SCHEMBL12433475 0.90 ABL1 (0.63) ABL1SRCBCRBRAFDDR1
SCHEMBL2314380 0.89 ABL1 (0.72) ABL1SRCBCRBRAFDDR1
SCHEMBL14717734 0.85 ABL1 (0.57) ABL1SRCBCRBRAFDDR1
SCHEMBL14110085 0.82 ABL1 (0.56) ABL1SRCBCRBRAFDDR1
SCHEMBL12432449 0.82 CSF1R (0.58) ABL1SRCBCRBRAFDDR1
SCHEMBL2311780 0.82 ABL1 (0.62) ABL1SRCBCRBRAF
SCHEMBL14731314 0.82 ABL1 (0.54) ABL1SRCBCRBRAFDDR1
SCHEMBL14717859 0.82 ABL1 (0.55) ABL1SRCBCRBRAFDDR1
SCHEMBL14717736 0.80 ABL1 (0.53) ABL1SRCBCRBRAFDDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053370-A1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI SCIENCE CO., LTD. (KR) 2013-02-28 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-20130053370-A1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES CDK2, TK1, DTYMK ABL1 149/4885SRC 298/4885BCR 1697/4885

“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.