SCHEMBL15344112

SCHEMBL15344112

Cc1ccnc(-c2ccc3c(c2)c(C2CC2)nn3C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.44
BRD4 O60885 4/20 0.44
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
GRM4 Q14833 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2A6 P11509 1/20 0.38
KHK P50053 1/20 0.37
CACNA1H O95180 1/20 0.37
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
SLC2A1 P11166 1/20 0.34
CNR1 P21554 2/20 0.33
RET P07949 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL15340912 0.85 BRD4 (0.42) CREBBPBRD4GRM4CYP1A2KHK
SCHEMBL15345097 0.82 BRD4 (0.44) CREBBPBRD4GRM4CYP1A2CACNA1H
SCHEMBL15345121 0.81 ADORA2A (0.47) CREBBPBRD4CCR1CCR5CCR8
SCHEMBL15344984 0.79 SLC2A1 (0.51) CCR1CCR5CCR8CYP2A6SLC2A1
SCHEMBL15345102 0.74 CNR1 (0.39) CREBBPBRD4CACNA1HCNR1
SCHEMBL15333180 0.72 BRD4 (0.43) CREBBPBRD4GRM4CYP1A2CACNA1H
SCHEMBL30896811 0.72 DDB1 (0.46) CREBBPBRD4GRM4CYP1A2KHK
SCHEMBL16904295 0.72 CCR1 (0.50) CCR1CCR5CCR8CYP2A6CNR1
SCHEMBL15344957 0.70 CCR1 (0.44) CCR1CCR5CCR8CYP2A6CNR1
SCHEMBL17680689 0.70 CACNA1H (0.47) CREBBPBRD4GRM4CYP1A2CACNA1H

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 7 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-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 (4 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CREBBP 942/4885BRD4 3611/4885CCR1 886/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CREBBP 401/4885BRD4 1928/4885CCR1 106/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CREBBP 401/4885BRD4 1928/4885CCR1 106/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CREBBP 942/4885BRD4 3611/4885CCR1 886/4885

“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.