SCHEMBL15344980

SCHEMBL15344980

Cc1ccnc(-c2ccc3c(c2)[nH]c(=O)n3C)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
LMNA P02545 2/20 0.49
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
DAO P14920 2/20 0.44
CYP2A6 P11509 1/20 0.44
TP53 P04637 2/20 0.44
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
PDE2A O00408 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PGR P06401 1/20 0.41
MAOB P27338 1/20 0.40
DYRK1A Q13627 1/20 0.39
SYK P43405 1/20 0.38
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 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
SCHEMBL15341943 0.84 LMNA (0.44) MAPTLMNATP53RXFP1PGR
SCHEMBL3263393 0.80 DAO (0.66) MAPTLMNADAOTP53PDE3B
SCHEMBL15345057 0.78 MAPK14 (0.54) LMNACCR1CCR5CCR8CYP2A6
SCHEMBL15345112 0.75 CA12 (0.49) CCR1CCR5CCR8CYP2A6PDE3B
SCHEMBL15344977 0.74 BRPF1 (0.49) MAPTCCR1CCR5CCR8CYP2A6
SCHEMBL18042065 0.74 MAPK14 (0.72) MAPTLMNAPGR
SCHEMBL5837193 0.74 MAPK14 (0.72) MAPTLMNAPGR
SCHEMBL15345113 0.72 CCR1 (0.46) MAPTLMNACCR1CCR5CCR8
SCHEMBL15345002 0.72 CCR1 (0.46) MAPTLMNACCR1CCR5CCR8
SCHEMBL30289229 0.72 PGR (0.51) MAPTLMNADAOPGRMAOB

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 MAPT 1627/4885LMNA 3781/4885CCR1 106/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MAPT 1627/4885LMNA 3781/4885CCR1 106/4885

“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.