SCHEMBL2931206

SCHEMBL2931206

CN1CCN(c2cc3[nH]c(Nc4nccn4C4CCCCC4)nc3cc2C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.35
AURKA O14965 2/20 0.34
CDK1 P06493 2/20 0.34
INSR P06213 1/20 0.34
PDGFRB P09619 1/20 0.34
CDK4 P11802 1/20 0.34
SRC P12931 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
CDK7 P50613 1/20 0.34
NTRK2 Q16620 1/20 0.34
CSF1R P07333 2/20 0.34
MAP4K1 Q92918 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
PTGES O14684 1/20 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
SCHEMBL2923944 0.99 KCNH2 (0.35) KCNH2AURKACDK1INSRPDGFRB
SCHEMBL2927890 0.97 KCNH2 (0.35) KCNH2AURKACDK1CSF1RHRH4
SCHEMBL2930096 0.91 TBK1 (0.35)
SCHEMBL2925779 0.90 OPRL1 (0.38) KCNH2CDK4OPRM1OPRK1OPRL1
SCHEMBL2933096 0.90 KCNH2 (0.35) KCNH2HRH4PTGESRPS6KA2
SCHEMBL2926373 0.90 KDM4E (0.35) CDK4OPRL1PTGES
SCHEMBL2927230 0.89 PIK3CA (0.39)
SCHEMBL2932436 0.86 MAP4K1 (0.36) KCNH2MAP4K1HRH4PTGES
SCHEMBL2931516 0.86 KCNH2 (0.39) KCNH2KDRHRH4PTGESEGFR
SCHEMBL2932279 0.83 KCNH2 (0.37) KCNH2KDRHRH4PTGESRPS6KA2

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 1911/4885AURKA 2/4885CDK1 7/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KCNH2 1911/4885AURKA 2/4885CDK1 7/4885

“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.