SCHEMBL13849252

SCHEMBL13849252

Cc1[nH]nc(-c2nc3ccc(NC(=O)CC(C)C)cc3[nH]2)c1C(=O)NC1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDPK1 O15530 4/20 0.41
CLK2 P49760 2/20 0.41
CLK3 P49761 2/20 0.41
DYRK1A Q13627 2/20 0.41
BRD4 O60885 2/20 0.40
MCHR1 Q99705 1/20 0.39
FLT3 P36888 4/20 0.39
CHEK1 O14757 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 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
SCHEMBL13849208 0.90 NR2E3 (0.44) EGFRMAPK1PDPK1BRD4FLT3
SCHEMBL13849255 0.84 CHEK1 (0.42) MAPK1PDPK1DYRK1ABRD4FLT3
SCHEMBL13849221 0.81 CHEK1 (0.42) MAPK1KDM4ESMN1; SMN2PDPK1DYRK1A
SCHEMBL13849227 0.81 CHEK1 (0.55) MAPK1SMN1; SMN2PDPK1DYRK1AFLT3
SCHEMBL13849234 0.75 DYRK1A (0.41) MAPK1PDPK1DYRK1ABRD4FLT3
SCHEMBL13849262 0.74 HTR3E (0.45) DYRK1AFLT3CHEK1
SCHEMBL5952481 0.73 CHEK1 (0.48) KDM4ESMN1; SMN2PDPK1FLT3CHEK1
SCHEMBL13849190 0.71 PBK (0.41) MAPK1KDM4ESMN1; SMN2PDPK1FLT3
SCHEMBL13849246 0.71 FLT3 (0.49) PDPK1FLT3CHEK1
SCHEMBL13849195 0.71 JAK1 (0.51) SMN1; SMN2CHEK1

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 EGFR 1284/4885TP53 776/4885RXFP1 3835/4885

“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.