SCHEMBL312388

SCHEMBL312388

Cc1ccn2c(Cl)c(C[C@@H]3CCCCN3)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
LTA4H P09960 3/20 0.33
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPY1R P25929 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31

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
SCHEMBL2123143 0.78 POLB (0.41) POLBHRH3LTA4HPIM1PIM2
SCHEMBL2124369 0.76 POLB (0.47) POLBHRH3LTA4HPIM1PIM2
SCHEMBL2616550 0.75 LTA4H (0.38) POLBLTA4HCYP1A2CYP2D6CYP2C19
SCHEMBL312572 0.73 PDE8B (0.41) POLBHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL2120243 0.73 LTA4H (0.41) POLBLTA4H
Ammonia Solution, Strong SCHEMBL312538 0.72 PDE8B (0.40) POLBHRH3CYP1A2CYP3A4CYP2D6
SCHEMBL2120480 0.71 LTA4H (0.41) POLBHRH3LTA4HPIM1PIM2
SCHEMBL7796172 0.70 ALDH1A1 (0.42) POLBHRH3PIM1PIM2CYP1A2
SCHEMBL2123153 0.68 POLB (0.47) POLBHRH3LTA4HPIM1PIM2
SCHEMBL2514924 0.68 POLB (0.43) POLBHRH3PIM1PIM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093255-B2 Imidazo[1,2-A]pyrimidines as orexin receptor antagonists GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 US disclosed
US-20100160344-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 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 (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-20100160344-A1 NOVEL COMPOUNDS BRD4, HDAC6, ENTPD5 POLB 2354/4885HRH3 920/4885LTA4H 2136/4885

“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.