SCHEMBL3462849

SCHEMBL3462849

Cc1ccc2nnn(C)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.55
KEAP1 Q14145 1/20 0.55
RAB9A P51151 3/20 0.44
HCAR3 P49019 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CYP19A1 P11511 4/20 0.40
CYP11B1 P15538 1/20 0.40
POLB P06746 2/20 0.40
NOTUM Q6P988 1/20 0.40
GRM4 Q14833 1/20 0.40
NSD2 O96028 1/20 0.39
NPC1 O15118 1/20 0.39
TLR8 Q9NR97 1/20 0.38
NQO2 P16083 1/20 0.38
IKBKB O14920 1/20 0.37
MGAM O43451 1/20 0.37

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
SCHEMBL435034 0.83 HCAR3 (0.56) SLC9A1KEAP1RAB9AHCAR3MAPT
SCHEMBL3278850 0.78 MAPK1 (0.53) RAB9AMAPTKDM4EALDH1A1MAPK1
SCHEMBL922757 0.78 SLC9A1 (0.53) SLC9A1KEAP1HCAR3MAPTKDM4E
SCHEMBL1161406 0.78 SLC9A1 (0.53) SLC9A1KEAP1RAB9AHCAR3MAPT
SCHEMBL17410806 0.78 SLC9A1 (0.53) SLC9A1KEAP1RAB9AHCAR3MAPT
SCHEMBL19848711 0.78 ALDH1A1 (0.53) SLC9A1KEAP1RAB9AMAPTKDM4E
SCHEMBL19696313 0.78 KDM4E (0.41) SLC9A1KEAP1RAB9AMAPTKDM4E
SCHEMBL3192611 0.78 KEAP1 (0.53) SLC9A1KEAP1RAB9AHCAR3MAPT
SCHEMBL19848433 0.78 SLC9A1 (0.53) SLC9A1KEAP1RAB9AHCAR3MAPT
SCHEMBL5968339 0.78 RAB9A (0.45) SLC9A1KEAP1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232563-B Chemical mechanical polishing composition and method 罗门哈斯电子材料CMP控股股份有限公司 2024-04-26 CN disclosed
EP-3642209-B1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC (US) 2023-11-29 EP disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
CN-115322746-A Surface-modified silanized colloidal silica particles 罗门哈斯电子材料CMP控股股份有限公司 2022-11-11 CN disclosed
CN-115322745-A Surface-modified silanized colloidal silica particles 罗门哈斯电子材料CMP控股股份有限公司 2022-11-11 CN disclosed
CN-115232563-A Chemical mechanical polishing composition and method 罗门哈斯电子材料CMP控股股份有限公司 2022-10-25 CN disclosed
WO-2022035805-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed
US-20210371416-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-02 US disclosed
US-11066402-B2 3,5-disubstituted-3H-imidazo[4,5-b]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of c-Met protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2021-07-20 US disclosed
US-20110281865-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2011-11-17 US disclosed
US-20110281865-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2011-11-17 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2011-01-13 US 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
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
WO-2009087153-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2009-07-16 WO disclosed
EP-0408509-B1 Substituted benzonitriles CIBA GEIGY AG (CH) 1996-03-06 EP disclosed
US-5073574-A TETRAZOLYL SUBSTITUTED BENZONITRILES AND ANTI-TUMOR USE THEREOF CIBA-GEIGY CORPORATION (US) 1991-12-17 US disclosed
EP-0408509-A2 Substituted benzonitriles CIBA-GEIGY AG (CH) 1991-01-16 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-20110281865-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES MAP4K2, MAP4K3, MAP3K1 SLC9A1 4546/4885KEAP1 1121/4885RAB9A 1446/4885
US-20210371416-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES MET, PRKCH, PRKCE SLC9A1 4746/4885KEAP1 1295/4885RAB9A 2233/4885
US-11066402-B2 3,5-disubstituted-3H-imidazo[4,5-b]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of c-Met protein kinases MET, PRKCH, HGFAC SLC9A1 4719/4885KEAP1 1359/4885RAB9A 2662/4885
US-20110009394-A1 TRICYCLIC NITROGEN COMPOUNDS AND THEIR USE AS ANTIBACTERIAL AGENTS NRDC, NCL, NPM1 SLC9A1 4367/4885KEAP1 3492/4885RAB9A 2359/4885

“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.