SCHEMBL6620993

SCHEMBL6620993

Cc1ccnc(-c2cc(C)[nH]c2C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.57
CCR5 P51681 1/20 0.57
CCR8 P51685 1/20 0.57
METAP2 P50579 2/20 0.46
CYP2A6 P11509 1/20 0.42
UHRF1 Q96T88 1/20 0.42
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
LRRK2 Q5S007 2/20 0.37
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
MAPK8 P45983 1/20 0.34
METAP1 P53582 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
SCHEMBL6623765 0.78 KDM4E (0.53) CCR1CCR5CCR8METAP2KDM4E
SCHEMBL29397106 0.75 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL181893 0.75 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL31482991 0.73 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL6820765 0.73 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL2258309 0.73 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL15664136 0.73 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
Hydrochloric Acid SCHEMBL5549447 0.73 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL32670845 0.73 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
Hydrochloric Acid SCHEMBL9639295 0.73 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471055-A1 6-phenylpyridyl-2-amine derivatives PFIZER INC. (US) 2004-10-27 EP disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
EP-0819135-B1 SUGAR-MODIFIED CYTOSTATICS BAYER AG (DE) 1999-11-17 EP disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO 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 (1 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 CCR1 4234/4885CCR5 2888/4885CCR8 3987/4885

“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.