SCHEMBL15344913

SCHEMBL15344913

Cc1ccnc(-c2ccc3c(c2)CC(=O)N3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.58
PDE3A Q14432 1/20 0.58
GRIA1 P42261 9/20 0.55
CACNG8 Q8WXS5 2/20 0.55
CYP1A2 P05177 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CRBN Q96SW2 1/20 0.48
PGR P06401 2/20 0.48
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
BRD4 O60885 1/20 0.46
AHR P35869 1/20 0.45

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
SCHEMBL15341786 0.83 PDE3B (0.55) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL5768340 0.80 PDE3B (0.61) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL27481594 0.79 CYP1A2 (0.64) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL21533092 0.78 GRIA1 (0.70) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL15344952 0.77 CYP11B1 (0.55) PDE3BPDE3ACYP11B1CYP11B2NPC1
SCHEMBL23143486 0.77 PDE3B (0.65) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL29899549 0.77 PDE3B (0.65) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL433708 0.77 AHR (0.61) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL8263674 0.77 PGR (0.68) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL27859220 0.76 PDE3B (0.64) PDE3BPDE3AGRIA1CACNG8CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE3B 763/4885PDE3A 1251/4885GRIA1 2055/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDE3B 763/4885PDE3A 1251/4885GRIA1 2055/4885

“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.