SCHEMBL4053100

SCHEMBL4053100

Cc1cn2nccc(Cl)c2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 1/20 0.34
DYRK1A Q13627 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
P2RX7 Q99572 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL15004634 0.80 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10RAB9AKDM4E
SCHEMBL24615353 0.77 ALDH1A1 (0.31) ALDH1A1PDE10A
SCHEMBL11104258 0.77 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EDYRK1A
SCHEMBL15004620 0.77 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EDYRK1A
SCHEMBL23290796 0.77 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10RAB9AKDM4E
Hydrochloric Acid SCHEMBL23291097 0.76 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10RAB9AKDM4E
SCHEMBL14667000 0.74 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10DYRK1A
SCHEMBL14649167 0.74 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10KDM4EDYRK1A
SCHEMBL15004532 0.74 ACVR2A (0.41) ALDH1A1HPGDHSD17B10RAB9AMAPT
SCHEMBL15004621 0.73 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4ETGFBR1

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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS FMR LLC 2015-11-12 US disclosed
US-8946222-B2 Phenoxymethyl heterocyclic compounds FORUM PHARMACEUTICALS INC. (US) 2015-02-03 US disclosed
EP-2617420-A1 Phenoxymethyl heterocyclic compounds Envivo Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS ENVIVO PHAMACEUTICALS, INC. (US) 2013-06-06 US disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 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 (2 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-20150322069-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A ALDH1A1 821/4885HPGD 74/4885HSD17B10 258/4885
US-20130143888-A1 PHENOXYMETHYL HETEROCYCLIC COMPOUNDS PDE3A, PDE2A, PDE5A ALDH1A1 821/4885HPGD 74/4885HSD17B10 258/4885

“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.