SCHEMBL2924925

SCHEMBL2924925

CN1CCN(c2cc3[nH]c(NC45CC6CC(CC(C6)C4)C5)nc3cc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
EPHX2 P34913 4/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.33
CNR2 P34972 3/20 0.33

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
SCHEMBL2932002 0.80 HRH4 (0.45) HRH4KCNH2
SCHEMBL2929163 0.79 RIPK1 (0.43) HRH4
SCHEMBL2934338 0.76 HRH4 (0.39) HRH4LMNAKCNH2
SCHEMBL2931481 0.76 HRH4 (0.43) HRH4KDM4E
SCHEMBL2925796 0.75 HRH4 (0.41) HRH4NPC1RAB9AKDM4E
SCHEMBL2925668 0.75 HRH4 (0.41) HRH4HTTNPC1RAB9AKDM4E
SCHEMBL2930228 0.74 KCNH2 (0.39) HRH4LMNAKCNH2KDM4E
SCHEMBL2931516 0.74 KCNH2 (0.39) HRH4KCNH2KDM4E
SCHEMBL2931207 0.73 KCNH2 (0.35) HRH4HPGDNPC1KCNH2KDM4E
SCHEMBL2931586 0.73 KDM1A (0.49) HRH4LMNAHTTRAB9ASMN1; SMN2

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 HRH4 2428/4885EPHX2 2228/4885HPGD 3750/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HRH4 2428/4885EPHX2 2228/4885HPGD 3750/4885

“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.