SCHEMBL12398453

SCHEMBL12398453

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnc(NC(=O)CN6CCCC6)s5)nn4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 16/20 0.62
BCR P11274 13/20 0.62
LDLR P01130 3/20 0.48
KIT P10721 3/20 0.48
PCSK9 Q8NBP7 3/20 0.48
NR2E1 Q9Y466 1/20 0.48
HCK P08631 2/20 0.47
NR2C2 P49116 1/20 0.47
BTK Q06187 1/20 0.47
EPHB2 P29323 2/20 0.47
PDGFRB P09619 2/20 0.47
EPHB6 O15197 1/20 0.47
CA12 O43570 1/20 0.47
CACNA1F O60840 1/20 0.47
SLC22A3 O75751 1/20 0.47
STK10 O94804 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
RAF1 P04049 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL12398470 0.95 ABL1 (0.60) ABL1BCRLDLRKITPCSK9
SCHEMBL12398258 0.91 ABL1 (0.66) ABL1BCRLDLRKITPCSK9
SCHEMBL12398390 0.89 BRAF (0.52) ABL1BCRKITHCKNR2C2
SCHEMBL12398112 0.89 ABL1 (0.68) ABL1BCRLDLRKITPCSK9
SCHEMBL12398386 0.89 ABL1 (0.52) ABL1BCRHCKNR2C2BTK
SCHEMBL12398454 0.89 ABL1 (0.63) ABL1BCRLDLRKITPCSK9
SCHEMBL12398126 0.88 ABL1 (0.69) ABL1BCRLDLRKITPCSK9
SCHEMBL13960523 0.88 ABL1 (0.51) ABL1BCRLDLRKITPCSK9
SCHEMBL12398255 0.88 ABL1 (0.67) ABL1BCRLDLRKITPCSK9
SCHEMBL12398117 0.85 ABL1 (0.70) ABL1BCRLDLRKITPCSK9

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-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889665-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 US disclosed
US-20110183952-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-28 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-20110183952-A1 NEW CHEMICAL COMPOUNDS MKI67, CCNA1, CCNT1 ABL1 136/4885BCR 922/4885LDLR 1568/4885

“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.