SCHEMBL13510715

SCHEMBL13510715

CCn1nc(-c2ccccc2)c(-c2ccc(OC)nc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.46
▸ HSD17B1 P14061 1/20 0.44
▸ HSD17B2 P37059 1/20 0.44
▸ OXTR P30559 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ CYP2A6 P11509 2/20 0.41
▸ JAK2 O60674 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ MAT2A P31153 1/20 0.40
▸ AVPR1A P37288 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ TNF P01375 1/20 0.38

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
SCHEMBL8215862 0.85 KDR (0.48) KDRHSD17B1HSD17B2OXTRMEN1
SCHEMBL13509089 0.84 KDR (0.45) KDRHSD17B1HSD17B2OXTRMEN1
SCHEMBL13510722 0.83 GABRA5 (0.37) KDRKDM4EHPGD
SCHEMBL13510686 0.82 ALDH1A1 (0.43) MEN1KMT2AGRM5LMNAKDM4E
SCHEMBL13510724 0.80 KDM4E (0.57) MEN1KMT2ANPC1LMNAKDM4E
SCHEMBL13243234 0.79 KMT2A (0.47) MEN1KMT2AKDM4EHPGDHSD17B10
SCHEMBL1422182 0.77 HSD17B1 (0.67) KDRHSD17B1HSD17B2OXTRMEN1
SCHEMBL13510688 0.73 LTA4H (0.47) LMNAKDM4E
SCHEMBL14294733 0.73 NR1H2 (0.54) MEN1KMT2ANPC1KDM4E
SCHEMBL17280145 0.72 CASP1 (0.42) MEN1KMT2AKDM4EHPGDHSD17B10

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 KDR 4580/4885HSD17B1 692/4885HSD17B2 1299/4885

“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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