SCHEMBL2652006

SCHEMBL2652006

Cc1ccnc(-c2cc(N)ccc2F)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
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
KMT2A Q03164 1/20 0.44
TGFBR1 P36897 6/20 0.41
KDM4C Q9H3R0 2/20 0.40
BRD4 O60885 1/20 0.39
MAP4K4 O95819 1/20 0.39
CYP2A6 P11509 1/20 0.39
METAP2 P50579 1/20 0.39
KARS1 Q15046 1/20 0.39
UHRF1 Q96T88 1/20 0.38
PIM1 P11309 1/20 0.38
SRC P12931 1/20 0.38
GSK3A P49840 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
SCHEMBL2596829 0.87 TGFBR1 (0.46) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL7085687 0.83 CCR1 (0.55) CCR1CCR5CCR8KDM4EMEN1
Hydrochloric Acid SCHEMBL7089569 0.81 CCR1 (0.53) CCR1CCR5CCR8KDM4EMEN1
Hydrochloric Acid SCHEMBL7088665 0.81 CCR1 (0.53) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL2653283 0.80 CCR1 (0.52) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL2651772 0.80 CCR1 (0.56) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL5685612 0.79 CCR1 (0.55) CCR1CCR5CCR8KDM4EMEN1
Hydrochloric Acid SCHEMBL5688057 0.78 CCR1 (0.53) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL4819036 0.78 MPL (0.49) CCR1CCR5CCR8NOS3NOS2
SCHEMBL4509227 0.77 CCR1 (0.57) CCR1CCR5CCR8TGFBR1MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381606-B1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-07-20 EP disclosed
US-6900215-B2 For therapy of disorders of central nervous system, including anxiety, convulsions and cognitive disorders MERCK SHARP & DOHME LTD. (GB) 2005-05-31 US disclosed
EP-1381606-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2004-01-21 EP disclosed
US-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME (UK) LIMITED (GB) 2002-12-19 US disclosed
WO-2002074773-A1 IMIDAZO-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-09-26 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-20020193385-A1 Imidazo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA1, GABRA2 CCR1 1269/4885CCR5 1647/4885CCR8 1814/4885

“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.