SCHEMBL13509036

SCHEMBL13509036

CC(C)n1nc(/C=C/c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ L3MBTL1 Q9Y468 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ GAA P10253 4/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ GLA P06280 3/20 0.42
▸ TP53 P04637 3/20 0.42
▸ RET P07949 1/20 0.42
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ KMT2A Q03164 3/20 0.36

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
SCHEMBL20282927 0.79 RET (0.43) KDM4EALDH1A1L3MBTL1RAB9AGAA
SCHEMBL13510677 0.79 KDM4E (0.43) KDM4EALDH1A1L3MBTL1RAB9AGAA
SCHEMBL8213947 0.79 KDM4E (0.48) KDM4EALDH1A1L3MBTL1RAB9AGAA
SCHEMBL10045009 0.73 PTGS2 (0.45) ALDH1A1TP53POLBTDP1PTGS1
SCHEMBL13509085 0.71 RECQL (0.38) KDM4EALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL14270968 0.70 ALDH1A1 (0.48) KDM4EALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL13509191 0.68 CNR2 (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL13509150 0.68 KDM4E (0.56) KDM4EALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL13509094 0.68 NUDT14 (0.44) KDM4EALDH1A1L3MBTL1GAALMNA
SCHEMBL13509081 0.67 ADORA2A (0.49) KDM4EALDH1A1SMN1; SMN2TP53KMT2A

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 1545/4885ALDH1A1 1237/4885L3MBTL1 3032/4885

“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.

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