SCHEMBL2931207

SCHEMBL2931207

CCCCn1ccnc1Nc1nc2cc(C(=O)O)c(N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.35
HRH4 Q9H3N8 1/20 0.34
PAK1 Q13153 1/20 0.32
DRD3 P35462 1/20 0.32
PTGES O14684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
KDR P35968 1/20 0.31
GRM2 Q14416 1/20 0.31
CNR2 P34972 1/20 0.31
OPRL1 P41146 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
SCHEMBL2925852 0.92 DRD3 (0.37) KCNH2HRH4PAK1DRD3PTGES
SCHEMBL2926127 0.89 KCNH2 (0.35) KCNH2HRH4PAK1PTGESKDM4E
SCHEMBL2924534 0.88 KCNH2 (0.35) KCNH2HRH4PAK1PTGESKDM4E
SCHEMBL2931044 0.86 PAK1 (0.39) KCNH2HRH4PAK1KDM4EALDH1A1
SCHEMBL2931516 0.86 KCNH2 (0.39) KCNH2HRH4PAK1PTGESKDM4E
SCHEMBL2932436 0.85 MAP4K1 (0.36) KCNH2HRH4PTGES
SCHEMBL2935297 0.84 KCNH2 (0.35) KCNH2HRH4PAK1DRD3PTGES
SCHEMBL2932279 0.84 KCNH2 (0.37) KCNH2HRH4PAK1PTGESPIK3CD
SCHEMBL2923944 0.81 KCNH2 (0.35) KCNH2HRH4PTGESPIK3CDPIK3CB
SCHEMBL2927890 0.81 KCNH2 (0.35) KCNH2HRH4PTGESPIK3CDPIK3CB

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 1911/4885HRH4 2428/4885PAK1 404/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KCNH2 1911/4885HRH4 2428/4885PAK1 404/4885

“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.