SCHEMBL2925779

SCHEMBL2925779

CCN1CCN(c2cc3[nH]c(Nc4nccn4C4CCCC4)nc3cc2C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.38
KCNH2 Q12809 7/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRK1 P41145 3/20 0.34
CAMK2D Q13557 1/20 0.34
OPRM1 P35372 2/20 0.34
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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 0.91 KCNH2 (0.35) OPRL1KCNH2OPRK1OPRM1CDK4
SCHEMBL2931206 0.90 KCNH2 (0.35) OPRL1KCNH2OPRK1OPRM1CDK4
SCHEMBL2930096 0.89 TBK1 (0.35)
SCHEMBL2927890 0.89 KCNH2 (0.35) KCNH2PTGES
SCHEMBL2926373 0.88 KDM4E (0.35) OPRL1KDM4EALDH1A1LMNAHPGD
SCHEMBL2927230 0.87 PIK3CA (0.39)
SCHEMBL2933096 0.82 KCNH2 (0.35) KCNH2PTGES
SCHEMBL2928760 0.81 TBK1 (0.34) LMNAHSD17B10
SCHEMBL2925852 0.79 DRD3 (0.37) OPRL1KCNH2KDM4EALDH1A1HPGD
SCHEMBL2932436 0.78 MAP4K1 (0.36) KCNH2PTGES

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 OPRL1 4864/4885KCNH2 1911/4885KDM4E 769/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB OPRL1 4864/4885KCNH2 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.