SCHEMBL15344989

SCHEMBL15344989

Cc1ccnc(-c2ccc3nn(C)cc3n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.53
CCR5 P51681 1/20 0.53
CCR8 P51685 1/20 0.53
METAP2 P50579 2/20 0.41
JMJD6 Q6NYC1 4/20 0.38
CYP2A6 P11509 1/20 0.37
UHRF1 Q96T88 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NSD2 O96028 1/20 0.36
MAPT P10636 1/20 0.36
TGFBR1 P36897 1/20 0.36
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MEN1 O00255 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 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
SCHEMBL15341868 0.82 SYK (0.34) CCR1CCR5CCR8JMJD6KDM4E
SCHEMBL15344983 0.78 CCR1 (0.53) CCR1CCR5CCR8METAP2JMJD6
SCHEMBL14269734 0.77 CCR1 (0.61) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL29397106 0.73 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL181893 0.73 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL15344953 0.73 CCR1 (0.46) CCR1CCR5CCR8METAP2JMJD6
SCHEMBL15344985 0.73 CCR1 (0.46) CCR1CCR5CCR8METAP2JMJD6
SCHEMBL15831586 0.72 CCR1 (0.53) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL15831594 0.72 BACE1 (0.49) CCR1CCR5CCR8METAP2ALDH1A1
SCHEMBL6820852 0.71 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6

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.