SCHEMBL1740642

SCHEMBL1740642

c1ccc2nc(C3CNC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP3A4 P08684 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
NCF1 P14598 2/20 0.42
CYP1A2 P05177 4/20 0.42
KDM4E B2RXH2 4/20 0.42
PMP22 Q01453 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
USP2 O75604 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 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
Hydrochloric Acid SCHEMBL2596035 0.98 ALDH1A1 (0.46) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL12533917 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL12533920 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL12533914 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL29390450 0.82 NPC1 (0.52) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL902873 0.82 NPC1 (0.52) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL21000902 0.81 MEN1 (0.57) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL29733200 0.81 MEN1 (0.57) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL3525605 0.78 NPC1 (0.49) ALDH1A1CYP3A4NPC1RAB9AMAPK1
SCHEMBL20623032 0.77 NPC1 (0.47) ALDH1A1CYP3A4NPC1RAB9AMAPK1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 EP disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (4 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-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A ALDH1A1 585/4885CYP3A4 1712/4885NPC1 2348/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A ALDH1A1 1019/4885CYP3A4 829/4885NPC1 1574/4885
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A ALDH1A1 381/4885CYP3A4 2133/4885NPC1 4059/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A ALDH1A1 585/4885CYP3A4 1712/4885NPC1 2348/4885

“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.