SCHEMBL13849205

SCHEMBL13849205

Cc1[nH]nc(-c2nc3ccccc3[nH]2)c1C(=O)NC1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
PDPK1 O15530 3/20 0.48
JAK1 P23458 1/20 0.48
PIP5K1C O60331 1/20 0.46
AURKA O14965 5/20 0.45
PRKD3 O94806 5/20 0.45
PRKCG P05129 5/20 0.45
PRKCB P05771 5/20 0.45
PRKCA P17252 5/20 0.45
CCNA2 P20248 5/20 0.45
PRKCH P24723 5/20 0.45
CDK2 P24941 5/20 0.45
PRKCI P41743 5/20 0.45
PRKCE Q02156 5/20 0.45
PRKCQ Q04759 5/20 0.45
PRKCZ Q05513 5/20 0.45
PRKCD Q05655 5/20 0.45
PRKD1 Q15139 5/20 0.45
PARP1 P09874 1/20 0.45

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
SCHEMBL4090783 0.88 CHEK1 (0.56) CHEK1SMN1; SMN2PDPK1JAK1PIP5K1C
SCHEMBL4096532 0.88 FLT3 (0.43) CHEK1SMN1; SMN2PDPK1PARP1PBK
SCHEMBL13849227 0.83 CHEK1 (0.55) CHEK1SMN1; SMN2PDPK1JAK1PIP5K1C
SCHEMBL13849194 0.79 FLT3 (0.47) CHEK1PDPK1FLT3
SCHEMBL13849195 0.78 JAK1 (0.51) CHEK1SMN1; SMN2JAK1
SCHEMBL4104292 0.78 CHEK1 (0.47) CHEK1SMN1; SMN2PDPK1PIP5K1CFLT3
SCHEMBL13849193 0.78 FLT3 (0.52) CHEK1SMN1; SMN2PDPK1FLT3
SCHEMBL4104351 0.78 FLT3 (0.56) CHEK1PDPK1FLT3
SCHEMBL12105176 0.78 PDPK1 (0.48) CHEK1SMN1; SMN2PDPK1PIP5K1CFLT3
SCHEMBL13849196 0.76 CHEK1 (0.45) CHEK1PDPK1PIP5K1CFLT3

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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 US disclosed
US-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2009-05-21 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-20090131470-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS PDK1, CHEK1, PDK3 CHEK1 2/4885SMN1; SMN2 3412/4885PDPK1 16/4885

“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.