SCHEMBL3443290

SCHEMBL3443290

COc1cccc(NC(=O)Nc2ccc(-c3nccc(Cl)c3C#N)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 6/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
CNR1 P21554 2/20 0.53
RAF1 P04049 1/20 0.52
ROCK2 O75116 1/20 0.52
LIMK1 P53667 1/20 0.52
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
KDR P35968 2/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPK1 P28482 1/20 0.49
STAT1 P42224 1/20 0.49
GRM4 Q14833 1/20 0.49

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
SCHEMBL3443455 0.87 CNR1 (0.52) SMN1; SMN2CNR1ROCK2KDRKMT2A
SCHEMBL3442732 0.86 KDR (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2236715 0.85 MAPT (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3443775 0.85 KDR (0.50) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1702802 0.84 KDR (0.57) TP53TSHRALDH1A1MAPTNPC1
SCHEMBL1703259 0.82 KDR (0.57) MAPTRAB9AROCK2LIMK1HTT
SCHEMBL1704022 0.81 KDR (0.53) CNR1ROCK2LIMK1KDRKMT2A
SCHEMBL12346315 0.81 ALDH1A1 (0.47) TSHRALDH1A1MAPTHTTLMNA
SCHEMBL3442309 0.80 MEN1 (0.57) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3442391 0.80 KDR (0.56) MAPTNPC1RAB9ASMN1; SMN2CNR1

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-7812166-B2 Kinase inhibitors ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
EP-1807424-A2 NOVEL KINASE INHIBITORS ABBOTT LABORATORIES (US) 2007-07-18 EP disclosed
US-20060178378-A1 Novel kinase inhibitors ABBVIE INC. 2006-08-10 US disclosed
WO-2006050109-A2 NOVEL KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-05-11 WO 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-20060178378-A1 Novel kinase inhibitors ABL1, MAP3K19, MAP3K20 TP53 581/4885TSHR 3327/4885ALDH1A1 3754/4885

“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.