SCHEMBL7996460

SCHEMBL7996460

N#Cc1cnc(C=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.37
KCNJ1 P48048 1/20 0.37
CHEK1 O14757 8/20 0.35
AURKA O14965 1/20 0.33
CDK2 P24941 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MAPK12 P53778 1/20 0.33
CDK5 Q00535 1/20 0.33
STK3 Q13188 1/20 0.33
ROCK1 Q13464 1/20 0.33
CAMK1 Q14012 1/20 0.33
MAPKAPK3 Q16644 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
EGLN2 Q96KS0 1/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL1825784 0.78 KCNJ1 (0.48) KCNJ1ALDH1A1
SCHEMBL3674005 0.78 CHEK1 (0.44) CHEK1EGLN2KDM4EALDH1A1LMNA
Iodide SCHEMBL28714110 0.75 KCNJ1 (0.47) KCNJ1ALDH1A1
SCHEMBL31398410 0.72 KCNJ1 (0.33) KCNJ1
SCHEMBL29416923 0.71 KCNJ1 (0.33) KCNJ1
SCHEMBL18810224 0.71 KCNJ1 (0.33) KCNJ1
SCHEMBL29427181 0.70
SCHEMBL360899 0.70
SCHEMBL29417173 0.70 CYP1A2 (0.36) KCNJ1
SCHEMBL18809837 0.70 CYP1A2 (0.36) KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4130267-A1 NEW METHOD FOR DETECTING AND QUANTIFYING RNA East China University of Science and Technology (CN) 2023-02-08 EP disclosed
US-20100120794-A1 Cycloalkylamino Acid Derivatives BHATTACHARYA SAMIT KUMAR 2010-05-13 US disclosed
US-7671043-B2 Cycloalkylamino acid derivatives PFIZER INC (US) 2010-03-02 US disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 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 (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-20100120794-A1 Cycloalkylamino Acid Derivatives CCND1, CCND2, CCND3 FGFR4 2794/4885KCNJ1 3575/4885CHEK1 1080/4885

“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.