SCHEMBL13509035

SCHEMBL13509035

COc1ccc(-c2nn(C(C)C)nc2-c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.51
▸ MAPT P10636 7/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ POLB P06746 2/20 0.43
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RPS6KB2 Q9UBS0 1/20 0.40
▸ CYP1A2 P05177 5/20 0.40
▸ USP2 O75604 4/20 0.40

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
SCHEMBL13510673 0.85 PDE10A (0.52) PDE10AMAPTNPC1RAB9AKDM4E
SCHEMBL8207607 0.85 PDE10A (0.54) PDE10AMAPTNPC1RAB9AKDM4E
SCHEMBL13509080 0.84 ALDH1A1 (0.43) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL13509150 0.81 KDM4E (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL14270967 0.78 KDR (0.43) NPC1RAB9AGABRA1GABRG2GABRB3
SCHEMBL10045002 0.77 GABRA1 (0.42) MAPTNPC1RAB9AKDM4EGABRA1
SCHEMBL14270981 0.77 SRC (0.43) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23951 0.74 MAPT (0.59) PDE10AMAPTNPC1RAB9AKDM4E
SCHEMBL13509026 0.73 LMNA (0.48) MAPTNPC1RAB9AKDM4EGABRG2
Hydrogen Sulfide SCHEMBL29093271 0.72 MAPT (0.58) PDE10AMAPTNPC1RAB9AKDM4E

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 PDE10A 2599/4885MAPT 4132/4885NPC1 145/4885

“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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