SCHEMBL10036330

SCHEMBL10036330

Nc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 2/20 0.54
DHFR P00374 1/20 0.52
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
ADORA1 P30542 2/20 0.48
C5AR1 P21730 1/20 0.48
CLPP Q16740 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
PNMT P11086 1/20 0.46

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
SCHEMBL29888556 1.00 KMT2A (0.55) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL116582 0.89 KMT2A (0.64) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL1831804 0.86 C5AR1 (0.60) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL31095294 0.86 C5AR1 (0.60) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL16034465 0.85 KMT2A (0.53) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL30097663 0.85 KMT2A (0.53) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL15189148 0.85 KMT2A (0.53) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL5999840 0.85 KMT2A (0.56) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL29486422 0.84 KMT2A (0.58) KMT2AKDM4EALDH1A1GLAGAA
SCHEMBL19959258 0.84 KMT2A (0.58) KMT2AKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107499-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2023-04-06 US disclosed
CN-115348959-A Heteroaryl compounds and their therapeutic use in disorders associated with altered beta-glucocerebrosidase activity 增益治疗股份有限公司 2022-11-15 CN disclosed
EP-4065563-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE Gain Therapeutics SA (CH) 2022-10-05 EP disclosed
WO-2021105908-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2021-06-03 WO disclosed
WO-2021105908-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE GAIN THERAPEUTICS SA (CH) 2021-06-03 WO disclosed
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
US-10323032-B2 P2X7 Modulators JANSSEN PHARMACEUTICA NV (BE) 2019-06-18 US disclosed
EP-2812331-B1 PIPERIDINO-PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2019-01-02 EP disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 EP disclosed
EP-3321266-A1 P2X7 MODULATORS Janssen Pharmaceutica NV (BE) 2018-05-16 EP disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
US-20120302587-A1 RHO-KINASE INHIBITORS NAGARAHNAM DHANAPALAN (US) 2012-11-29 US disclosed
EP-1470121-B1 PYRIMIDINE DERIVATIVES AS RHO-KINASE INHIBITORS BAYER HEALTHCARE LLC (US) 2012-07-11 EP disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-20120053179-A1 Rho-Kinase Inhibitors NAGARATHNAM DHANAPALAN (US) 2012-03-01 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
EP-1470122-B1 RHO-KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2007-12-19 EP 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-20120053179-A1 Rho-Kinase Inhibitors CIT, ROCK1, ROCK2 KMT2A 3704/4885KDM4E 1463/4885ALDH1A1 3690/4885
US-10323032-B2 P2X7 Modulators P2RX7, P2RX1, P2RX3 KMT2A 4469/4885KDM4E 3944/4885ALDH1A1 1245/4885
US-20230107499-A1 HETEROARYL COMPOUNDS AND THERAPEUTIC USES THEREOF IN CONDITIONS ASSOCIATED WITH THE ALTERATION OF THE ACTIVITY OF BETA-GLUCOCEREBROSIDASE GBA1, GBA2, GBA3 KMT2A 2603/4885KDM4E 4341/4885ALDH1A1 640/4885
US-20120302587-A1 RHO-KINASE INHIBITORS CIT, ROCK1, ROCK2 KMT2A 3704/4885KDM4E 1463/4885ALDH1A1 3690/4885

“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.