SCHEMBL13154196

SCHEMBL13154196

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.38
P2RX7 Q99572 1/20 0.36
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
CCNA1 P78396 4/20 0.36
CDK5 Q00535 4/20 0.36
DYRK1A Q13627 4/20 0.36
CDK5R1 Q15078 4/20 0.36
LPAR1 Q92633 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
HCAR2 Q8TDS4 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 0.34
SCN1A P35498 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
LMNA P02545 1/20 0.34

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 0.86 CHRNB2 (0.38) HCAR3P2RX7CCNA2CDK2CCNA1
SCHEMBL8920731 0.84 P2RX7 (0.37) HCAR3P2RX7CCNA2CDK2CCNA1
SCHEMBL890146 0.82 EPHX2 (0.40) HCAR3P2RX7CCNA2CDK2CCNA1
SCHEMBL19364788 0.78 CHRNB2 (0.35) HCAR3P2RX7CCNA2CDK2CCNA1
SCHEMBL8908938 0.78 KDM4E (0.39) HCAR3P2RX7CCNA2CDK2CCNA1
SCHEMBL29416422 0.75 SMN1; SMN2 (0.44) HCAR3P2RX7CCNA2CDK2CCNA1
SCHEMBL6259325 0.74 P2RX7 (0.41) HCAR3P2RX7HCAR2CHRNB2CHRNB4
SCHEMBL7511795 0.72 CHRNB2 (0.42) HCAR3P2RX7LPAR1IRAK4CHRNB2
SCHEMBL7429834 0.72 CHRNB2 (0.42) HCAR3P2RX7LPAR1IRAK4CHRNB2
SCHEMBL30797267 0.72 HCAR3 (0.43) HCAR3P2RX7LPAR1IRAK4CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 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 (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-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 HCAR3 3284/4885P2RX7 1249/4885CCNA2 435/4885

“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.