SCHEMBL15344950

SCHEMBL15344950

Cc1ccnc(-c2cnc3[nH]c(C)cc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.49
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
CYP2A6 P11509 1/20 0.46
MAP4K1 Q92918 1/20 0.43
METAP2 P50579 1/20 0.43
PIK3CG P48736 1/20 0.42
SYK P43405 2/20 0.39
DYRK1A Q13627 1/20 0.39
ULK1 O75385 1/20 0.37
KARS1 Q15046 2/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
UHRF1 Q96T88 1/20 0.35
CNR1 P21554 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 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
SCHEMBL20132695 0.83 BRD4 (0.45) BRD4MAP4K1PIK3CGSYKDYRK1A
SCHEMBL20793633 0.77 BRD4 (0.45) BRD4MAP4K1METAP2PIK3CGDYRK1A
SCHEMBL15750961 0.74 PIK3CG (0.57) BRD4MAP4K1PIK3CGSYKCDK2
SCHEMBL7921126 0.73 BRD4 (0.50) BRD4CCR1CCR5CCR8MAP4K1
SCHEMBL13712396 0.72 CYP1A2 (0.56) CCR1CCR5CCR8CYP2A6DYRK1A
SCHEMBL21335344 0.72 PIK3CG (0.52) BRD4MAP4K1PIK3CGDYRK1AULK1
SCHEMBL15785505 0.72 RIPK1 (0.58) BRD4MAP4K1PIK3CGDYRK1ANPC1
SCHEMBL15345166 0.72 MET (0.48) CCR1CCR5CCR8CYP2A6CCNT1
SCHEMBL27344644 0.70 CCR1 (0.76) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL31695263 0.70 CCR1 (0.76) CCR1CCR5CCR8CYP2A6METAP2

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 BRD4 1928/4885CCR1 106/4885CCR5 3/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 BRD4 1928/4885CCR1 106/4885CCR5 3/4885

“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.