SCHEMBL15344997

SCHEMBL15344997

Cc1ccnc(-c2ccc3c(cnn3C)c2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR5 P51681 1/20 0.46
CCR8 P51685 1/20 0.46
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
CYP2A6 P11509 1/20 0.39
METAP2 P50579 1/20 0.39
KDR P35968 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
DYRK1A Q13627 1/20 0.35
TGFBR1 P36897 1/20 0.34
UHRF1 Q96T88 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDC7 O00311 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
SLC2A1 P11166 1/20 0.33
MEN1 O00255 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 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
SCHEMBL15341923 0.85 BRD4 (0.37) CCR1CCR5CCR8BRD4CREBBP
SCHEMBL15345069 0.74 CCR1 (0.55) CCR1CCR5CCR8BRD4CREBBP
SCHEMBL15345019 0.74 CCR1 (0.55) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL15344986 0.73 CCR1 (0.46) CCR1CCR5CCR8BRD4CREBBP
SCHEMBL15345048 0.72 CCR1 (0.52) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL15344156 0.72 CCR1 (0.47) CCR1CCR5CCR8CYP2A6TGFBR1
SCHEMBL15344978 0.71 CCR1 (0.46) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL15344985 0.71 CCR1 (0.46) CCR1CCR5CCR8BRD4CREBBP
SCHEMBL10310477 0.70 TP53 (0.39) CCR1CCR5CCR8BRD4CREBBP
SCHEMBL15344158 0.69 CCR1 (0.47) 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 CCR1 106/4885CCR5 3/4885CCR8 125/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CCR1 106/4885CCR5 3/4885CCR8 125/4885

“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.