SCHEMBL15344936

SCHEMBL15344936

Cc1ccnc(-c2ccc(=O)[nH]c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
CYP2A6 P11509 1/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
METAP2 P50579 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CNR1 P21554 1/20 0.39
ABL1 P00519 4/20 0.39
BCR P11274 4/20 0.39
UHRF1 Q96T88 1/20 0.38
SOS1 Q07889 1/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL15341774 0.80 SYK (0.38) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15345112 0.78 CA12 (0.49) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL27344644 0.78 CCR1 (0.76) CCR1CCR5CCR8CYP2A6MEN1
SCHEMBL31695263 0.78 CCR1 (0.76) CCR1CCR5CCR8CYP2A6MEN1
SCHEMBL15345000 0.77 CA12 (0.59) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL11448878 0.77 MEN1 (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL10999876 0.77 KDM4E (0.48) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29463685 0.74 CCR1 (0.70) CCR1CCR5CCR8CYP2A6MEN1
SCHEMBL6807225 0.74 CCR1 (0.70) CCR1CCR5CCR8CYP2A6MEN1
SCHEMBL688244 0.74 CYP2A6 (0.47) CCR1CCR5CCR8CYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.