SCHEMBL15344923

SCHEMBL15344923

CCc1cnn2cc(C)cnc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 14/20 0.44
PDE10A Q9Y233 2/20 0.38
PDE3A Q14432 1/20 0.38
HSD11B1 P28845 3/20 0.36
KDR P35968 1/20 0.35
ACVR2A P27037 1/20 0.34
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
PTGS2 P35354 1/20 0.32

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
SCHEMBL15333581 0.80 POLB (0.43) PDE2AKDRACVR2ATGFBR1TGFBR2
SCHEMBL15333599 0.77 LPL (0.32) PDE2AACVR2ATGFBR1TGFBR2
SCHEMBL15341776 0.77 PDE2A (0.34) PDE2AACVR2ATGFBR1TGFBR2
SCHEMBL15308505 0.76 PDE2A (0.41) PDE2APDE10APDE3AHSD11B1KDR
SCHEMBL10258993 0.76 KDM4E (0.40) HSD11B1
SCHEMBL15344912 0.76 CYP2A6 (0.46) KDRACVR2ATGFBR1TGFBR2
SCHEMBL12517707 0.73 PRKAB2 (0.51) PDE2APDE10APDE3AHSD11B1KDR
SCHEMBL21893829 0.73 SMPD3 (0.48) PDE2AHSD11B1KDR
SCHEMBL16628978 0.73 PDE2A (0.40) PDE2APDE10APDE3AHSD11B1KDR
SCHEMBL310126 0.73 PDE2A (0.59) PDE2APDE10APDE3AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (2 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE2A 1575/4885PDE10A 1377/4885PDE3A 1251/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE2A 1575/4885PDE10A 1377/4885PDE3A 1251/4885

“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.