SCHEMBL17660384

SCHEMBL17660384

CCc1c(-c2ccnc(N)c2[N+](=O)[O-])cccc1-n1ccn(-c2ccc(C)cc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.40
▸ RECQL P46063 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 5/20 0.33
▸ LMNA P02545 3/20 0.33
▸ KMT2A Q03164 5/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ NOS3 P29474 1/20 0.30
▸ NOS2 P35228 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ AKT2 P31751 1/20 0.30

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
SCHEMBL17646028 0.89 BTK (0.43) BTKRECQLNPSR1NPC1ALDH1A1
SCHEMBL17660381 0.86 BTK (0.42) BTKNPC1HTTMAPTLMNA
SCHEMBL17645922 0.86 BTK (0.37) BTKRECQLNPSR1MAPTLMNA
SCHEMBL17660379 0.74 BTK (0.47) BTKRECQLNPSR1NPC1ALDH1A1
SCHEMBL17645826 0.72 BTK (0.40) BTK
SCHEMBL17660373 0.71 MAPT (0.42) NPC1ALDH1A1HTTMAPTLMNA
SCHEMBL17660383 0.69 BTK (0.34) BTKNPSR1NPC1ALDH1A1HTT
SCHEMBL18131092 0.66 SMN1; SMN2 (0.50) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL23362140 0.66 MAPT (0.47) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL17660380 0.63 BTK (0.39) BTK

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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — 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-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885RECQL 1836/4885NPSR1 4440/4885

“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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