SCHEMBL15340912

SCHEMBL15340912

CC(C)c1ccnc(-c2ccc3c(c2)c(C2CC2)nn3C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.42
CREBBP Q92793 4/20 0.42
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PRKDC P78527 1/20 0.37
ATM Q13315 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
GRM4 Q14833 4/20 0.36
CYP1A2 P05177 3/20 0.36
CNR1 P21554 3/20 0.35
CACNA1H O95180 1/20 0.35
KHK P50053 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNC P24863 1/20 0.34
CDK2 P24941 1/20 0.34
CDK8 P49336 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34

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
SCHEMBL15344112 0.85 CREBBP (0.44) BRD4CREBBPPIK3CBMTORPRKDC
SCHEMBL15341790 0.82 CNR1 (0.44) BRD4CREBBPGRM4CYP1A2CNR1
SCHEMBL15341924 0.82 ADORA2A (0.41) BRD4CREBBPGRM4CCNT1CCNC
SCHEMBL15341894 0.81 SLC2A1 (0.47) PIK3CBMTORPRKDCPIM1SLC2A1
SCHEMBL15341787 0.75 CNR1 (0.46) BRD4CREBBPCNR1
SCHEMBL15341780 0.73 SCN9A (0.35) PIM1
SCHEMBL15341942 0.72 PIM1 (0.36) PIM1
SCHEMBL15341912 0.70 TDO2 (0.45) PIM1
SCHEMBL15340902 0.70 KDM5B (0.46) CCNCCDK8PIM1SLC2A1
SCHEMBL15345097 0.70 BRD4 (0.44) BRD4CREBBPGRM4CYP1A2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 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
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1928/4885CREBBP 401/4885PIK3CB 373/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 BRD4 3611/4885CREBBP 942/4885PIK3CB 3513/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1928/4885CREBBP 401/4885PIK3CB 373/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1928/4885CREBBP 401/4885PIK3CB 373/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 BRD4 3611/4885CREBBP 942/4885PIK3CB 3513/4885

“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.