SCHEMBL15907183

SCHEMBL15907183

C#Cc1cc(C(=O)Nc2cccc(C(C)=O)c2)nnc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.51
KMT2A Q03164 3/20 0.51
MAPK1 P28482 3/20 0.51
MEN1 O00255 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 6/20 0.49
NPSR1 Q6W5P4 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.46
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL15907232 0.81 RAB9A (0.46) ALDH1A1RAB9ANPC1KMT2AMAPK1
SCHEMBL15907185 0.81 BCAT2 (0.43) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL15907283 0.75 RAB9A (0.41) ALDH1A1RAB9ANPC1KMT2AMAPK1
SCHEMBL18323170 0.73 THRB (0.34) ALDH1A1RAB9ANPC1KMT2AMAPT
SCHEMBL20102643 0.71 NPC1 (0.59) ALDH1A1RAB9ANPC1KMT2AMAPK1
SCHEMBL15907177 0.71 KMT2A (0.59) ALDH1A1RAB9ANPC1KMT2AMAPK1
SCHEMBL18323167 0.70 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1KMT2AMAPK1
SCHEMBL15907176 0.70 KMT2A (0.61) ALDH1A1RAB9ANPC1KMT2AMAPK1
SCHEMBL31542000 0.68 KCNK9 (0.81) ALDH1A1RAB9ANPC1KMT2AMAPK1
SCHEMBL13210704 0.68 KMT2A (0.81) ALDH1A1RAB9ANPC1KMT2AMAPK1

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 ALDH1A1 3414/4885RAB9A 1864/4885NPC1 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.