SCHEMBL8920731

SCHEMBL8920731

CCC(=O)[C@@H](Nc1ccncn1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCNA2 P20248 5/20 0.36
CDK2 P24941 5/20 0.36
CCNA1 P78396 5/20 0.36
CDK5 Q00535 5/20 0.36
DYRK1A Q13627 5/20 0.36
CDK5R1 Q15078 5/20 0.36
LPAR1 Q92633 1/20 0.35
CYP1A2 P05177 1/20 0.35
HCAR3 P49019 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
NLRP3 Q96P20 2/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL890246 0.84 CHRNB2 (0.38) P2RX7CCNA2CDK2CCNA1CDK5
SCHEMBL13154196 0.84 HCAR3 (0.38) P2RX7CCNA2CDK2CCNA1CDK5
SCHEMBL890146 0.83 EPHX2 (0.40) P2RX7CCNA2CDK2CCNA1CDK5
SCHEMBL19364788 0.79 CHRNB2 (0.35) P2RX7CCNA2CDK2CCNA1CDK5
SCHEMBL8908938 0.79 KDM4E (0.39) P2RX7CCNA2CDK2CCNA1CDK5
SCHEMBL7511795 0.73 CHRNB2 (0.42) P2RX7ALDH1A1LPAR1HCAR3IRAK4
SCHEMBL7429834 0.73 CHRNB2 (0.42) P2RX7ALDH1A1LPAR1HCAR3IRAK4
SCHEMBL30797267 0.73 HCAR3 (0.43) P2RX7LPAR1HCAR3IRAK4CHRNB2
SCHEMBL29416422 0.73 SMN1; SMN2 (0.44) P2RX7ALDH1A1CCNA2CDK2CCNA1
SCHEMBL8921088 0.72 MEN1 (0.37) ALDH1A1MEN1KMT2ACCNA2CDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013059278-A2 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
WO-2010099527-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2010-09-02 WO disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 WO disclosed
WO-2010091413-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2010-08-12 WO 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 (1 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-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 P2RX7 1072/4885ALDH1A1 287/4885MEN1 4801/4885

“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.