SCHEMBL13510677

SCHEMBL13510677

CCn1nc(/C=C/c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ GAA P10253 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GLA P06280 3/20 0.43
▸ RELA Q04206 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL8213947 0.80 KDM4E (0.48) KDM4EALDH1A1RAB9AGAAHPGD
SCHEMBL13509036 0.79 KDM4E (0.42) KDM4EALDH1A1RAB9AGAAHPGD
SCHEMBL13243234 0.78 KMT2A (0.47) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL10072206 0.72 PTGS2 (0.40) KDM4EALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL17280145 0.72 CASP1 (0.42) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL13510721 0.70 NR1H3 (0.44) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL14294733 0.69 NR1H2 (0.54) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13510678 0.68 MAPT (0.42) KDM4EALDH1A1HPGDMAPTMAPK1
SCHEMBL13510724 0.67 KDM4E (0.57) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL13510688 0.67 LTA4H (0.47) KDM4EALDH1A1MAPTL3MBTL1TDP1

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 1237/4885RAB9A 3387/4885

“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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