SCHEMBL15345124

SCHEMBL15345124

Cc1ccnc(-c2ccc3cc[nH]c(=O)c3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
CYP2A6 P11509 1/20 0.44
MAPK14 Q16539 2/20 0.44
METAP2 P50579 1/20 0.41
PARP1 P09874 3/20 0.40
ADORA2A P29274 1/20 0.39
CHEK1 O14757 2/20 0.38
PIM1 P11309 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PRKD1 Q15139 1/20 0.38
PRKACA P17612 1/20 0.37
PRKACG P22612 1/20 0.37
PRKACB P22694 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL15341933 0.82 MAPK14 (0.38) MAPK14PARP1ADORA2ACHEK1PIM1
SCHEMBL27084041 0.79 CCR1 (0.50) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL1536379 0.78 PARP1 (0.53) CYP2A6MAPK14PARP1CHEK1PIM1
SCHEMBL31038353 0.78 PARP1 (0.53) CYP2A6MAPK14PARP1CHEK1PIM1
SCHEMBL15345123 0.76 CCR1 (0.43) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL15730876 0.75 PRMT5 (0.52) MAPK14METAP2PARP1
SCHEMBL22744081 0.73 XDH (0.45) METAP2PARP1PIM1
SCHEMBL15345112 0.72 CA12 (0.49) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL31695263 0.72 CCR1 (0.76) CCR1CCR5CCR8CYP2A6METAP2
SCHEMBL27344644 0.72 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 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.