SCHEMBL15907306

SCHEMBL15907306

COc1cn2c(C#Cc3cc(C#N)cc(NC(=O)c4cccc(C(C)=O)c4)c3)nnc2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
CSF1R P07333 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
BRAF P15056 2/20 0.39
GPR142 Q7Z601 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
KIT P10721 1/20 0.37
DDR1 Q08345 1/20 0.37

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
SCHEMBL15907310 0.87 CSF1R (0.40) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL15907305 0.83 CSF1R (0.38) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL18323184 0.79 GRM5 (0.33) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL15907313 0.79 KIT (0.44) KITDDR1
SCHEMBL18323212 0.78 KIT (0.51) KITDDR1
SCHEMBL15907314 0.77 CSF1R (0.32) CSF1R
SCHEMBL15907287 0.76 HTT (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL15907238 0.76 KMT2A (0.45) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL18323146 0.75 GRM5 (0.37) RAB9ACSF1RKCNK3KCNK9KIT
SCHEMBL18323185 0.75 GRM5 (0.41) KMT2AMEN1ALDH1A1NPC1RAB9A

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 KMT2A 1272/4885MEN1 1500/4885ALDH1A1 3414/4885

“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.