SCHEMBL2925852

SCHEMBL2925852

CCn1ccnc1Nc1nc2cc(C(=O)O)c(N3CCN(C)CC3)cc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.37
KCNH2 Q12809 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
PTGES O14684 2/20 0.35
PAK1 Q13153 1/20 0.33
CHIA Q9BZP6 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
KDR P35968 1/20 0.32
OPRL1 P41146 1/20 0.32
GAA P10253 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL2931207 0.92 KCNH2 (0.35) DRD3KCNH2KDM4EALDH1A1MEN1
SCHEMBL2924534 0.90 KCNH2 (0.35) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2926127 0.90 KCNH2 (0.35) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2931044 0.89 PAK1 (0.39) KCNH2KDM4EALDH1A1HRH4PAK1
SCHEMBL2931516 0.89 KCNH2 (0.39) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2932436 0.87 MAP4K1 (0.36) KCNH2HRH4PTGES
SCHEMBL2935297 0.87 KCNH2 (0.35) DRD3KCNH2HRH4PTGESPAK1
SCHEMBL2932279 0.86 KCNH2 (0.37) KCNH2HRH4PTGESPAK1PIK3CD
SCHEMBL2927890 0.83 KCNH2 (0.35) KCNH2HRH4PTGESPIK3CDPIK3CB
SCHEMBL2923944 0.83 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 DRD3 4771/4885KCNH2 1911/4885KDM4E 769/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB DRD3 4771/4885KCNH2 1911/4885KDM4E 769/4885

“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.