SCHEMBL1702802

SCHEMBL1702802

COc1cccc(NC(=O)Nc2ccc(-c3ccnc(Cl)c3C#N)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.57
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
GAA P10253 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CNR1 P21554 2/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RAF1 P04049 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP3A5 P20815 1/20 0.52
KIT P10721 2/20 0.50
MET P08581 1/20 0.50
MAPK1 P28482 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
SCHEMBL1703595 0.87 CYP3A4 (0.58) KDRSMN1; SMN2CNR1KMT2ACYP3A4
SCHEMBL3442461 0.86 CYP3A4 (0.60) KDRMAPTLMNAHTTGAA
SCHEMBL3443154 0.85 CYP3A4 (0.58) KDRSMN1; SMN2LMNATP53CNR1
SCHEMBL3443290 0.84 TP53 (0.54) KDRMAPTSMN1; SMN2LMNAHTT
SCHEMBL1703159 0.82 KDR (0.60) KDRMAPTHTTRAB9AMEN1
SCHEMBL1703490 0.81 KIT (0.57) KDRMEN1KMT2ACYP3A4CYP3A5
SCHEMBL1703172 0.80 KDR (0.56) KDRMAPTSMN1; SMN2LMNAHTT
SCHEMBL1703153 0.79 KDR (0.57) KDRMAPTSMN1; SMN2LMNAHTT
SCHEMBL1703220 0.79 KDR (0.53) KDRSMN1; SMN2GAAALDH1A1RAB9A
SCHEMBL1162717 0.76 KDM4E (0.61) MAPTSMN1; SMN2LMNAHTTGAA

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
EP-1807424-B1 NOVEL KINASE INHIBITORS ABBOTT LAB (US) 2012-04-18 EP disclosed
US-7812166-B2 Kinase inhibitors ABBOTT LABORATORIES (US) 2010-10-12 US disclosed
US-20060178378-A1 Novel kinase inhibitors ABBVIE INC. 2006-08-10 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 (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 KDR 434/4885MAPT 2564/4885SMN1; SMN2 4506/4885

“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.