SCHEMBL422738

SCHEMBL422738

Cc1ccc2nn(C)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
NSD2 O96028 1/20 0.48
CYP1A2 P05177 4/20 0.45
PDE2A O00408 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
NCK1 P16333 1/20 0.42
BACE1 P56817 1/20 0.42
CYP2A6 P11509 2/20 0.42
NQO2 P16083 1/20 0.42
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
MAT2A P31153 2/20 0.41
NOTUM Q6P988 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL422734 0.83 MAPT (0.63) KDM4EALDH1A1MAPTNSD2CYP1A2
SCHEMBL19023242 0.78 ESR2 (0.54) KDM4EALDH1A1MAPTNSD2CYP1A2
SCHEMBL13106149 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTNSD2MAOA
SCHEMBL906617 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTNSD2CYP1A2
SCHEMBL509892 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTNSD2BACE1
SCHEMBL24814672 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTNSD2BACE1
SCHEMBL653802 0.78 KDM4E (0.72) KDM4EALDH1A1MAPTNSD2BACE1
SCHEMBL12940550 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTNSD2BACE1
SCHEMBL13106147 0.78 KDM4E (0.49) KDM4EALDH1A1MAPTNSD2PDE3B
SCHEMBL19628569 0.76 KDM4E (0.47) KDM4EALDH1A1MAPTNSD2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 US disclosed
WO-2024108147-A1 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 WO disclosed
WO-2024039858-A1 ESTROGEN RECEPTOR MODULATORS AND USES THEREOF OLEMA PHARMACEUTICALS, INC. (US) 2024-02-22 WO disclosed
EP-4306520-A1 THIOPHENE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-01-17 EP disclosed
EP-3628044-B1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2023-11-22 EP disclosed
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-07-27 US disclosed
WO-2023133229-A2 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
WO-2011019060-A1 HEDGEHOG SIGNAL INHIBITOR 協和発酵キリン株式会社 (JP) 2011-02-17 WO disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2010-07-01 US disclosed
US-7615565-B2 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-04-02 US disclosed
WO-2007109334-A2 SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
US-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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 (7 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-20070015794-A1 Endothelial growth factor; angiogenesis inhibitors; antitumor agents; skin disorders; endimetriosis; Crohn's disease; leukemia; antiarthritic agents FLT4, KDR, FLT1 KDM4E 692/4885ALDH1A1 2240/4885MAPT 3356/4885
US-20090088406-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 KDM4E 1194/4885ALDH1A1 345/4885MAPT 1263/4885
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 KDM4E 4332/4885ALDH1A1 3801/4885MAPT 2385/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 KDM4E 2880/4885ALDH1A1 256/4885MAPT 399/4885
US-20100166655-A1 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS GRM2, GRM1, GRM3 KDM4E 1551/4885ALDH1A1 2815/4885MAPT 2635/4885
US-20230234925-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 KDM4E 4664/4885ALDH1A1 1831/4885MAPT 1539/4885
US-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A KDM4E 40/4885ALDH1A1 460/4885MAPT 138/4885

“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.