SCHEMBL969625

SCHEMBL969625

Cc1ccccc1OB(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
ORAI1 Q96D31 2/20 0.39
ORAI2 Q96SN7 2/20 0.39
ORAI3 Q9BRQ5 2/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL28616351 0.83 SYK (0.37) ENPP2ORAI1ORAI2ORAI3CA4
SCHEMBL350128 0.81 TSHR (0.45) ENPP2ORAI1ORAI2ORAI3CA4
SCHEMBL30366069 0.81 TSHR (0.45) ENPP2ORAI1ORAI2ORAI3CA4
SCHEMBL5987894 0.80 ENPP2 (0.45) ENPP2ORAI1ORAI2ORAI3SMN1; SMN2
SCHEMBL6607754 0.79 TSHR (0.41) ORAI1ORAI2ORAI3CA7TRPV6
SCHEMBL3106476 0.79 TSHR (0.45) ORAI1ORAI2ORAI3TRPV6TSHR
SCHEMBL30197899 0.79 CA1 (0.44) ENPP2ORAI1ORAI2ORAI3CA4
Ammonia Solution, Strong SCHEMBL27889555 0.79 TSHR (0.43) ENPP2ORAI1ORAI2ORAI3CA4
SCHEMBL3228199 0.78 CA2 (0.45) ENPP2ORAI1ORAI2ORAI3CA4
SCHEMBL15715556 0.77 TSHR (0.42) ENPP2ORAI1ORAI2ORAI3CA7

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
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed
EP-2225248-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Wyeth LLC (US) 2010-09-08 EP disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 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-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A ENPP2 510/4885ORAI1 3366/4885ORAI2 2662/4885

“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.