SCHEMBL15907302

SCHEMBL15907302

CC(=O)c1cccc(NC(=O)c2cccc(C#Cc3nnc4ccc(N)cn34)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.46
LCK P06239 1/20 0.44
TEK Q02763 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PDGFRB P09619 3/20 0.42
KDR P35968 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 2/20 0.42
GRM5 P41594 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CSF1R P07333 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL18323145 0.91 ALDH1A1 (0.47) IKBKBLCKTEKALDH1A1PDGFRB
SCHEMBL18323164 0.81 IKBKB (0.41) IKBKBLCKTEKPDGFRBKDR
SCHEMBL15907304 0.78 NPC1 (0.35) ALDH1A1KMT2APOLBNPC1RAB9A
SCHEMBL15907301 0.77 KDR (0.36) IKBKBLCKTEKPDGFRBKDR
SCHEMBL18323210 0.76 PTGS1 (0.35) PDGFRBKDRKMT2ANPC1RAB9A
SCHEMBL15907238 0.76 KMT2A (0.45) ALDH1A1KMT2APOLBNPC1RAB9A
SCHEMBL15907315 0.73 KIT (0.39) LCKTEKALDH1A1PDGFRBKDR
SCHEMBL15907299 0.72 CSF1R (0.49) LCKABL1CSF1R
SCHEMBL15907243 0.71 PDGFRB (0.49) IKBKBPDGFRBKDRPOLBRAB9A
SCHEMBL18323166 0.71 TP53 (0.38) ALDH1A1PDGFRBKDRKMT2APOLB

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-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-9522910-B2 Protein kinase inhibitors (variants), use thereof in treating oncological diseases and a pharmaceutical composition based thereon Obshchestvo s ogranichennoy otvetstvennostyou “Fusion Pharma” (RU) 2016-12-20 US disclosed
US-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon OBSHCHESTVO S OGRANICHENNOY OTVETSTVENNOSTYOU "FUSION PHARMA" (RU) 2014-07-31 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-20140213592-A1 Protein Kinase Inhibitors (Variants), Use Thereof in Treating Oncological Diseases and a Pharmaceutical Composition Based Thereon ABL1, ABL2, MAP3K6 IKBKB 158/4885LCK 13/4885TEK 586/4885

“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.