SCHEMBL671052

SCHEMBL671052

Cc1cccc(-c2nc(N)nc(N)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 1.00
HRH4 Q9H3N8 1/20 0.61
ADORA1 P30542 2/20 0.57
POLB P06746 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
HEXA P06865 1/20 0.53
HEXB P07686 1/20 0.53
DPP4 P27487 1/20 0.50
NPC1 O15118 3/20 0.48
NR1I3 Q14994 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
XDH P47989 1/20 0.46
DHPS P49366 1/20 0.46
GPR68 Q15743 1/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4801904 0.85 RAB9A (0.73) RAB9AHRH4ADORA1POLBADORA3
SCHEMBL3766697 0.85 RAB9A (0.73) RAB9AHRH4POLBDPP4NPC1
SCHEMBL4546968 0.83 RAB9A (0.70) RAB9AHRH4POLBDPP4NPC1
SCHEMBL4546940 0.81 RAB9A (0.68) RAB9AHRH4POLBDPP4NPC1
SCHEMBL3421554 0.79 RAB9A (0.66) RAB9AADORA1POLBADORA3ADORA2A
SCHEMBL4546934 0.79 RAB9A (0.66) RAB9AHRH4ADORA1DPP4NPC1
SCHEMBL9920522 0.79 RAB9A (0.66) RAB9AHRH4POLBNPC1NR1I3
SCHEMBL883671 0.79 RAB9A (0.66) RAB9AHRH4ADORA1DPP4NPC1
SCHEMBL29712523 0.79 RAB9A (0.66) RAB9AHRH4ADORA1DPP4NPC1
SCHEMBL2883605 0.79 RAB9A (0.66) RAB9AHRH4POLBDPP4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11844802-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2023-12-19 US disclosed
CN-116621787-A Substituted triazine compound, method for preparing cyclic peptide and staple peptide by using same and application of substituted triazine compound 粤港澳大湾区精准医学研究院(广州) 2023-08-22 CN disclosed
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2023-02-09 US disclosed
US-11471461-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2022-10-18 US disclosed
CN-113461660-B 2,4, 6-trisubstituted-1, 3, 5-s-triazine compound, preparation and application thereof 浙江大学 2022-08-02 CN disclosed
EP-3704210-B1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-02-09 EP disclosed
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2021-04-08 US disclosed
US-10888565-B2 Compounds and compositions for ossification and methods related thereto EMORY UNIVERSITY (US) 2021-01-12 US disclosed
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto UNIV EMORY (US) 2020-04-23 US disclosed
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-26 US disclosed
EP-2605804-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO Emory University (US) 2013-06-26 EP disclosed
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2013-05-30 US disclosed
US-8361605-B2 Photosensitive resin composition, dry film, and processed product made using the same MITSUI CHEMICALS, INC. (JP) 2013-01-29 US disclosed
US-8330039-B2 Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound E I DU PONT DE NEMOURS AND COMPANY (US) 2012-12-11 US disclosed
WO-2012024489-A2 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2012-02-23 WO disclosed
EP-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed
US-20100180947-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-22 US disclosed
US-20100116532-A1 PHOTOSENSITIVE RESIN COMPOSITION, DRY FILM, AND PROCESSED PRODUCT MADE USING THE SAME MITSUI CHEMICALS, INC. (JP) 2010-05-13 US disclosed
EP-0563386-A1 ANTICANCER COMPOSITION AND COMPOUND NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-10-06 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 (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-10888565-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885
US-20130137634-A1 COMPOUNDS AND COMPOSITIONS FOR OSSIFICATION AND METHODS RELATED THERETO BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885
US-20180207166-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885
US-11471461-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885
US-20230044670-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885
US-20210100806-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885
US-20200121687-A1 Compounds and Compositions for Ossification and Methods Related Thereto BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885
US-11844802-B2 Compounds and compositions for ossification and methods related thereto BMP2, SOST, BMP4 RAB9A 4649/4885HRH4 3899/4885ADORA1 432/4885

“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.