SCHEMBL13510724

SCHEMBL13510724

CCn1nc(-c2ccccc2)c(-c2ccc(OC)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.57
▸ L3MBTL1 Q9Y468 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ DPP4 P27487 1/20 0.48
▸ NLRP3 Q96P20 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ADORA2A P29274 2/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ CCNA2 P20248 1/20 0.46

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
SCHEMBL13510688 0.86 LTA4H (0.47) KDM4EL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL13243234 0.85 KMT2A (0.47) KDM4EL3MBTL1ALDH1A1TDP1MEN1
SCHEMBL14294673 0.85 MEN1 (0.47) KDM4EL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL13510672 0.84 LMNA (0.49) KDM4EL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL8218208 0.82 KDM4E (0.61) KDM4EL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL13509150 0.81 KDM4E (0.56) KDM4EL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL13510719 0.81 FLT3 (0.45) KDM4EL3MBTL1ALDH1A1LMNANPSR1
SCHEMBL13510673 0.81 PDE10A (0.52) KDM4EL3MBTL1ALDH1A1LMNATDP1
SCHEMBL13510715 0.80 KDR (0.46) KDM4ELMNANPC1MEN1KMT2A
SCHEMBL14294732 0.80 KDR (0.44) ALDH1A1RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662779-B2 Triazolyl macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2010-02-16 — — US disclosed
US-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-02-19 — — 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-20090047248-A1 TRIAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS SPINT2, PRSS1, CTSC KDM4E 1545/4885L3MBTL1 3032/4885ALDH1A1 1237/4885

“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.

Send feedback