SCHEMBL15907283

SCHEMBL15907283

COc1nnc(C(=O)Nc2cccc(C(C)=O)c2)cc1C#Cc1nnc2c(C(=O)O)cccn12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 5/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CREBBP Q92793 1/20 0.35

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
SCHEMBL15907288 0.79 SMO (0.41) MEN1KMT2A
SCHEMBL15907269 0.78 RAB9A (0.41) RAB9AALDH1A1NPC1TP53MAPT
SCHEMBL18323162 0.78 SMO (0.40) RAB9AALDH1A1NPC1TP53MAPT
SCHEMBL15907183 0.75 ALDH1A1 (0.52) RAB9AALDH1A1NPC1TP53MAPT
SCHEMBL15907287 0.74 HTT (0.41) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL15907250 0.70 NPC1 (0.37) RAB9AALDH1A1NPC1TP53MAPT
SCHEMBL15907282 0.70 CHEK1 (0.38) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL15907281 0.69 KIT (0.44)
SCHEMBL15907289 0.68 CSF1R (0.43)
SCHEMBL18323140 0.68 CHEK1 (0.36) RAB9AALDH1A1NPC1MAPTMEN1

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 RAB9A 1864/4885ALDH1A1 3414/4885NPC1 3370/4885

“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.