SCHEMBL311081

SCHEMBL311081

Nc1nc2cc(OCc3ccccc3)ccc2c2c1nc1n2CCOC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.43
PARP14 Q460N5 1/20 0.40
GRM5 P41594 1/20 0.40
PRMT5 O14744 1/20 0.38
CYP3A4 P08684 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NME2 P22392 1/20 0.37
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
IGF1R P08069 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
SCHEMBL311936 0.83 PRKDC (0.45) PRKDCPARP14GRM5PRMT5CYP3A4
SCHEMBL1231771 0.83 MCHR1 (0.50) PARP14PRMT5CYP3A4IGF1R
Hydrochloric Acid SCHEMBL1232748 0.82 MCHR1 (0.49) PARP14PRMT5CYP3A4IGF1R
SCHEMBL8114384 0.81 KDM4E (0.46) MAPTALDH1A1
SCHEMBL203310 0.81 PARP14 (0.40) PRKDCPARP14CYP3A4NPC1RAB9A
SCHEMBL1775868 0.81 GRM5 (0.36) PRKDCGRM5PRMT5NPC1RAB9A
SCHEMBL1774146 0.80 PARP14 (0.39) PARP14GRM5CYP3A4NPC1RAB9A
SCHEMBL311219 0.80 ALDH1A1 (0.47) NPC1RAB9ATP53MAPTALDH1A1
Hydrochloric Acid SCHEMBL1233327 0.80 MCHR1 (0.44) PARP14PRMT5CYP3A4
SCHEMBL311967 0.79 ALDH1A1 (0.42) PRKDCNPC1RAB9ATP53MAPT

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-8093390-B2 Substituted fused [1,2]imidazo[4,5-C] ring compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-10 US disclosed
US-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods 3M INNOVATIVE PROPERTIES COMPANY 2009-01-01 US disclosed
EP-1845986-A2 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C]RING COMPOUNDS AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-10-24 EP disclosed
WO-2006086633-A2 SUBSTITUTED FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-17 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-20090005371-A1 Substituted Fused [1,2]Imidazo[4,5-C] Ring Compounds and Methods IL2, IFNG, IL4 PRKDC 3764/4885PARP14 3489/4885GRM5 1723/4885

“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.