SCHEMBL2929641

SCHEMBL2929641

Cc1cccnc1Nc1nc2cc(C(=O)O)c(N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
MAPT P10636 2/20 0.39
HRH4 Q9H3N8 3/20 0.38
KIT P10721 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SORT1 Q99523 1/20 0.37
PARP1 P09874 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
METAP1 P53582 1/20 0.35
CHIA Q9BZP6 1/20 0.35
PAK1 Q13153 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ELANE P08246 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
SCHEMBL2931752 0.93 LMNA (0.39) MAPTLMNAGAAMEN1NPC1
SCHEMBL2932302 0.91 F12 (0.38) MAPTLMNAGAAHRH3MEN1
SCHEMBL2930571 0.91 OPRL1 (0.38) KCNH2MAPTLMNAGAAMEN1
SCHEMBL2930795 0.90 PIK3CA (0.43) MAPTLMNAGAAMEN1NPC1
SCHEMBL2931431 0.89 PRKCQ (0.42) MAPTLMNAGAAMEN1NPC1
SCHEMBL2926394 0.89 PRKCA (0.38) MAPTLMNAGAAMEN1NPC1
SCHEMBL2931516 0.82 KCNH2 (0.39) KCNH2HRH4MEN1KMT2APAK1
SCHEMBL2930228 0.80 KCNH2 (0.39) KCNH2HRH4LMNAKMT2A
SCHEMBL2932279 0.80 KCNH2 (0.37) KCNH2HRH4PAK1
SCHEMBL2931044 0.79 PAK1 (0.39) KCNH2HRH4GAACHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB KCNH2 1911/4885MAPT 1464/4885HRH4 2428/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KCNH2 1911/4885MAPT 1464/4885HRH4 2428/4885

“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.