SCHEMBL10172276

SCHEMBL10172276

CC(=O)c1cnc(Cl)cc1NC1CC2CCC(C1)N2C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.51
CHEK1 O14757 1/20 0.49
CHEK2 O96017 1/20 0.49
HTR3A P46098 2/20 0.44
HTR4 Q13639 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
HRH1 P35367 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 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
SCHEMBL618287 0.88 CHEK1 (0.63) KAT2BCHEK1CHEK2HTR3AHTR4
SCHEMBL21460305 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL10172274 0.81 CHEK1 (0.63) KAT2BCHEK1CHEK2BRD4ATAD2
SCHEMBL22553657 0.80 IRAK4 (0.42) MAPK1
SCHEMBL22585840 0.80 IRAK4 (0.42) MAPK1
SCHEMBL10171746 0.78 CHEK1 (0.64) KAT2BCHEK1CHEK2HTR4
SCHEMBL17074083 0.74 IRAK4 (0.37) KAT2BCHEK1CHEK2MEN1KMT2A
SCHEMBL31436651 0.73 CA1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL4404049 0.73 CA1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL4406630 0.72 CHEK1 (0.47) CHEK1CHEK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367658-B2 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-02-05 US disclosed
US-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2012-02-16 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-20120040967-A1 Pyrazin-2-yl-pyridin-2-yl-amine and pyrazin-2-yl-pyrimidin-4-yl-amine Compounds and Their Use CHEK1, CHEK2, PLK1 KAT2B 2647/4885CHEK1 1/4885CHEK2 2/4885

“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.