SCHEMBL4058635

SCHEMBL4058635

Nc1ccnc(-c2ccccc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
GLA P06280 1/20 0.47
ADORA2A P29274 5/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
AURKA O14965 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKACA P17612 1/20 0.44
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
NCF1 P14598 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
SCHEMBL27843373 0.96 CDK5 (0.45) CDK5CDK5R1ALDH1A1KDM4EHPGD
SCHEMBL17555856 0.83 MAPT (0.42) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL10075618 0.81 CDK5 (0.46) CDK5CDK5R1ALDH1A1KDM4EHPGD
SCHEMBL17555814 0.80 CYP2A6 (0.53) CDK5CDK5R1ALDH1A1KDM4EHPGD
SCHEMBL28145706 0.79 CDK5 (0.45) CDK5CDK5R1ALDH1A1KDM4EHPGD
SCHEMBL22216730 0.79 NOS3 (0.52) CDK5CDK5R1ALDH1A1KDM4EHPGD
SCHEMBL1251654 0.79 KDM4E (0.53) CDK5CDK5R1ALDH1A1KDM4EHPGD
SCHEMBL17555834 0.79 PDE3B (0.42) CDK5CDK5R1ALDH1A1HPGDADORA2A
SCHEMBL18957021 0.79 CDK5 (0.45) CDK5CDK5R1ALDH1A1KDM4EHPGD
SCHEMBL27522948 0.79 CDK5 (0.45) CDK5CDK5R1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 US disclosed
US-11820770-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20220213095-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-07 US disclosed
US-11225478-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2022-01-18 US disclosed
CN-110003200-B P2X7 modulators 詹森药业有限公司 2021-11-26 CN disclosed
US-20200325138-A1 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-10-15 US disclosed
US-10703749-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2020-07-07 US disclosed
US-20200203630-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2020-06-25 US disclosed
EP-3495365-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed
US-20190092770-A1 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 US disclosed
US-20140275015-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 US disclosed
WO-2012146667-A1 IMIDAZOPYRIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2012-11-01 WO disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-03 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
CN-1060173-C Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 2001-01-03 CN disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
CN-1118781-A Heterocyclic compound with activity against diabetes and preparation and application of same MITSUTAKA CO LTD (JP) 1996-03-20 CN 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 (9 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-20200325138-A1 P2X7 Modulators P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885
US-20080161366-A1 AMINOALKYL SUBSTITUTED ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 CDK5 3339/4885CDK5R1 3909/4885ALDH1A1 687/4885
US-20190092770-A1 P2X7 Modulators P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885
US-11225478-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885
US-11820770-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885
US-20220213095-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885
US-10703749-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885
US-20140275015-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 CDK5 1591/4885CDK5R1 1468/4885ALDH1A1 1628/4885

“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.