SCHEMBL16834136

SCHEMBL16834136

Nc1ccc(-c2ccc[c]n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MAP4K4 O95819 2/20 0.43
PIK3CD O00329 3/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
LTA4H P09960 1/20 0.37
FEN1 P39748 2/20 0.36
FYN P06241 4/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 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
SCHEMBL16834083 0.80 HPGDS (0.40) NPC1RAB9APIK3CDPIK3CG
SCHEMBL18662841 0.79 CYP2A6 (0.44) MEN1NPC1RAB9AKMT2APIK3CD
SCHEMBL16834641 0.75 CYP19A1 (0.49) MKNK1MKNK2FYNNNMTKCNH2
SCHEMBL18422298 0.75 EGLN2 (0.40) PIK3CD
SCHEMBL1722976 0.72 CYP2A6 (0.55) MEN1NPC1RAB9AKMT2AMAP4K4
SCHEMBL988804 0.72
SCHEMBL29740321 0.71 PIK3CD (0.73) MEN1NPC1RAB9AKMT2AMAP4K4
SCHEMBL1257460 0.71 PIK3CD (0.73) MEN1NPC1RAB9AKMT2AMAP4K4
SCHEMBL988803 0.70 CYP2A6 (0.53) NPC1RAB9AMKNK1MKNK2KDM4E
SCHEMBL16834690 0.70 PTK2 (0.49) KMT2APIK3CDKDM4EGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951086-B2 Indazolecarboxamides, processes for their preparation, pharmaceutical preparations comprising them and their use for producing medicaments BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
EP-3083586-B1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma AG (DE) 2018-04-18 EP disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
EP-3083586-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
WO-2015091426-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO 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-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA MEN1 3830/4885NPC1 983/4885RAB9A 4531/4885

“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.