SCHEMBL10016367

SCHEMBL10016367

Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.61
MCHR1 Q99705 1/20 0.61
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALOX15 P16050 1/20 0.57
MAPK1 P28482 1/20 0.57
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
JAK2 O60674 1/20 0.52
TNF P01375 1/20 0.52
HTT P42858 1/20 0.52
NOD1 Q9Y239 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL29645158 1.00 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MCHR1ALDH1A1
SCHEMBL21530398 0.82 NPC1 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5001839 0.82 NPC1 (0.71) RAB9ANPC1SMN1; SMN2MCHR1ALDH1A1
SCHEMBL21530404 0.81 MCHR1 (0.71) RAB9ANPC1SMN1; SMN2MCHR1ALDH1A1
SCHEMBL20355764 0.80 NPC1 (0.76) RAB9ANPC1SMN1; SMN2MCHR1ALDH1A1
SCHEMBL23795778 0.78 NPC1 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL27628518 0.78 NPC1 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL24019176 0.77 ALDH1A1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL24019174 0.75 NPC1 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL2453899 0.74 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
EP-3562811-B1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S L (ES) 2022-03-16 EP disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2019-11-07 US disclosed
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2014-09-11 US disclosed
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME NORTH CAROLINA STATE UNIVERSITY (US) 2014-09-11 US disclosed
WO-2013019469-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME THE WISTAR INSTITUTE (US) 2013-02-07 WO disclosed
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same The Wistar Institute and North Carolina State University 2013-01-24 US disclosed
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same The Wistar Institute and North Carolina State University 2013-01-24 US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 US disclosed
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same The Wistar Institute / North Carolina State University (US) 2012-01-12 US disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 US disclosed
US-20100196357-A1 Microrna modulators and method for identifying and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-08-05 US 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 (8 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-20100196357-A1 Microrna modulators and method for identifying and using the same AGO2, RNASE1, TRDMT1 RAB9A 2435/4885NPC1 667/4885SMN1; SMN2 3647/4885
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA RAB9A 83/4885NPC1 16/4885SMN1; SMN2 36/4885
US-20130023498-A1 MicroRNA Modulators and Method for Identifying and Using the Same AGO2, RNASE1, TRDMT1 RAB9A 2435/4885NPC1 667/4885SMN1; SMN2 3647/4885
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA RAB9A 83/4885NPC1 16/4885SMN1; SMN2 36/4885
US-20120010177-A1 MicroRNA Modulators and Method for Identifying And Using The Same AGO2, RNASE1, TRDMT1 RAB9A 2435/4885NPC1 667/4885SMN1; SMN2 3647/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA RAB9A 83/4885NPC1 16/4885SMN1; SMN2 36/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA RAB9A 83/4885NPC1 16/4885SMN1; SMN2 36/4885
US-20140255386-A1 MICRORNA MODULATORS AND METHOD FOR IDENTIFYING AND USING THE SAME AGO2, RNASE1, TRDMT1 RAB9A 2435/4885NPC1 667/4885SMN1; SMN2 3647/4885

“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.