SCHEMBL4239447

SCHEMBL4239447

Cc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.46
GRM4 Q14833 1/20 0.44
DYRK1A Q13627 1/20 0.44
ALOX5 P09917 1/20 0.43
MAOB P27338 2/20 0.43
MAPT P10636 1/20 0.43
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KIT P10721 1/20 0.42
ACHE P22303 1/20 0.42
IP6K1 Q92551 1/20 0.42

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
SCHEMBL1486437 0.84 HRH3 (0.44) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL1486643 0.77 L3MBTL1 (0.54) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL1486467 0.77 IP6K1 (0.48) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL4240323 0.76 TP53 (0.45) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL4753495 0.76 SMN1; SMN2 (0.43) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL310769 0.76 CYP3A4 (0.41) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL27640403 0.76 CYP3A4 (0.39) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL1486497 0.75 HRH3 (0.42) CYP3A4GRM4DYRK1AALOX5PDGFRB
SCHEMBL1486493 0.75 CYP3A4 (0.43) NPC1RAB9AMEN1KMT2ACYP3A4
SCHEMBL9216070 0.74 PIK3CA (0.49) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856254-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-01-02 US disclosed
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2016-09-29 US disclosed
US-9365567-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-06-14 US disclosed
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed
US-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2015-01-22 US disclosed
US-8871782-B2 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-10-28 US disclosed
EP-1673087-A4 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-04-08 EP disclosed
US-20070060754-A1 Alkoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2007-03-15 US disclosed
EP-1673087-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-06-28 EP disclosed
WO-2005032484-A2 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-14 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 (3 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-20150023990-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 NPC1 2931/4885RAB9A 1342/4885MEN1 3720/4885
US-20070060754-A1 Alkoxy substituted imidazoquinolines IL2, IFNG, IRF3 NPC1 2931/4885RAB9A 1342/4885MEN1 3720/4885
US-20160280707-A1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 NPC1 2931/4885RAB9A 1342/4885MEN1 3720/4885

“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.