SCHEMBL6526053

SCHEMBL6526053

CCc1cccc(NN)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.53
SIGMAR1 Q99720 12/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL4079566 0.98 SIGMAR1 (0.53) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Water SCHEMBL27001752 0.98 RAPGEF4 (0.51) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Bromide SCHEMBL20984749 0.98 RAPGEF4 (0.51) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Water SCHEMBL29861880 0.98 RAPGEF4 (0.51) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL27273814 0.98 RAPGEF4 (0.51) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Oxalic Acid SCHEMBL20984481 0.89 SMN1; SMN2 (0.51) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Phosphoric Acid SCHEMBL20984605 0.89 SMN1; SMN2 (0.48) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Sulfuric Acid SCHEMBL20984390 0.89 SIGMAR1 (0.48) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
Nitric Acid SCHEMBL20984778 0.86 GAA (0.52) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL11585925 0.83 GRIN2D (0.54) RAPGEF4SIGMAR1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674028-A A kind of synthetic method of pyrazoline ketone compounds 天津瑞岭化工有限公司 2018-02-09 CN claimed
CN-107652237-A A kind of synthetic method of pyrazolone and its derivative 天津瑞岭化工有限公司 2018-02-02 CN claimed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
US-9176406-B2 Toner, development agent, image forming apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2015-11-03 US disclosed
EP-2099770-B1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN KETTERING INST CANCER (US) 2015-06-10 EP disclosed
US-8680150-B2 Small molecule hematopoietic growth factor mimetic compounds that activate hematopoietic growth factor receptors LIGAND PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20140051019-A1 TONER, DEVELOPMENT AGENT, IMAGE FORMING APPARATUS, AND PROCESS CARTRIDGE RICOH COMPANY, LTD. (JP) 2014-02-20 US disclosed
CN-1016398-B The pollen that contains pyrazole derivatives generates composite inhibiting ELLI LILLY & CO (US) 1992-04-29 CN disclosed
EP-0177242-B1 POLLEN FORMATION INHIBITING PYRAZOLES ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
US-4775409-A PREVENTING POLLEN FORMATION ELI LILLY AND COMPANY (US) 1988-10-04 US disclosed
US-4666504-A HYBRIDS ELI LILLY AND COMPANY (US) 1987-05-19 US disclosed
CN-85107078-A The pollen that contains pyridine derivate generates composite inhibiting 1987-04-01 CN disclosed
EP-0177242-A2 Pollen formation inhibiting pyrazoles ELI LILLY AND COMPANY (US) 1986-04-09 EP disclosed
US-4226774-A Carbazole melonates HOFFMANN-LA ROCHE INC. (US) 1980-10-07 US disclosed
US-4193923-A Tetrahydro 2-carbazolyl methyl malonate derivatives HOFFMANN-LA ROCHE INC. (US) 1980-03-18 US disclosed
US-4158007-A Carbazole methyl malonates HOFFMANN-LA ROCHE INC. (US) 1979-06-12 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 (1 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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA RAPGEF4 603/4885SIGMAR1 2827/4885GRIN2D 574/4885

“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.