SCHEMBL15907222

SCHEMBL15907222

CC1=CC(C(=O)Nc2cc(Br)c(C)cn2)=CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.43
▸ NPC1 O15118 10/20 0.36
▸ RAB9A P51151 10/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.34
▸ SORT1 Q99523 1/20 0.33
▸ ABL1 P00519 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAP3K5 Q99683 1/20 0.32

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
SCHEMBL624251 0.74 L3MBTL1 (0.53) MTORNPC1RAB9AABL1SMN1; SMN2
SCHEMBL31627738 0.71 MTOR (0.44) MTORNPC1RAB9ATP53MAPK1
SCHEMBL15907221 0.70 MTOR (0.56) MTORNPC1RAB9ATP53POLB
SCHEMBL15981013 0.69 HDAC6 (0.38) —
SCHEMBL15907219 0.68 MTOR (0.57) MTORNPC1RAB9ATP53POLB
SCHEMBL31511994 0.67 GSK3B (0.46) MTORMAPK1
SCHEMBL15907196 0.67 NPC1 (0.36) NPC1RAB9ATP53POLBKMT2A
SCHEMBL15907218 0.66 MTOR (0.43) MTORNPC1RAB9ATP53POLB
SCHEMBL15907220 0.66 MAP3K5 (0.43) MTORNPC1RAB9ATP53MAPK1
SCHEMBL3466637 0.66 MTOR (0.43) MTORNPC1RAB9ATP53MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MTOR 348/4885NPC1 3370/4885RAB9A 1864/4885

“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.

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