SCHEMBL17646028

SCHEMBL17646028

Cc1ccc(-n2ccn(-c3cccc(-c4ccnc(N)c4[N+](=O)[O-])c3C)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.43
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 6/20 0.35
▸ LMNA P02545 5/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL17660384 0.89 BTK (0.40) BTKRECQLNPSR1MAPTLMNA
SCHEMBL17660379 0.85 BTK (0.47) BTKRECQLNPSR1MAPTLMNA
SCHEMBL17645922 0.82 BTK (0.37) BTKRECQLNPSR1MAPTLMNA
SCHEMBL17660381 0.73 BTK (0.42) BTKMAPTLMNAKMT2AMEN1
SCHEMBL17660373 0.71 MAPT (0.42) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL18131092 0.69 SMN1; SMN2 (0.50) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL23362140 0.68 MAPT (0.47) MAPTLMNAKMT2AALDH1A1HTT
SCHEMBL17645899 0.67 BTK (0.41) BTKNPSR1MAPTALDH1A1HTT
SCHEMBL17555748 0.64 MAPT (0.49) MAPTLMNAKMT2AMEN1HTT
SCHEMBL27734089 0.64 SMN1; SMN2 (0.47) MAPTLMNAKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 — — EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US disclosed
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US disclosed
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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN BTK 1/4885RECQL 1836/4885NPSR1 4440/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885RECQL 1487/4885NPSR1 4498/4885
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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