SCHEMBL4106602

SCHEMBL4106602

Cc1[nH]nc(-c2nc3ccc(-c4cc5ccccc5[nH]4)cc3[nH]2)c1C(=O)NC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
FLT3 P36888 4/20 0.45
PIP5K1C O60331 9/20 0.41
PDPK1 O15530 2/20 0.41
KDR P35968 1/20 0.40
DHODH Q02127 1/20 0.40
FOXO1 Q12778 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL13849196 0.93 CHEK1 (0.45) CHEK1FLT3PIP5K1CPDPK1KDR
SCHEMBL4104292 0.87 CHEK1 (0.47) CHEK1FLT3PIP5K1CPDPK1DHODH
SCHEMBL4090783 0.86 CHEK1 (0.56) CHEK1FLT3PIP5K1CPDPK1FOXO1
SCHEMBL13849246 0.82 FLT3 (0.49) CHEK1FLT3PDPK1DHODHFOXO1
SCHEMBL13849238 0.81 FLT3 (0.48) CHEK1FLT3PDPK1KDRDHODH
SCHEMBL4104351 0.81 FLT3 (0.56) CHEK1FLT3PDPK1KDRDHODH
SCHEMBL13849241 0.80 FLT3 (0.47) CHEK1FLT3DHODH
SCHEMBL13849200 0.79 FLT3 (0.45) CHEK1FLT3PDPK1DHODH
SCHEMBL13849198 0.79 FLT3 (0.45) CHEK1FLT3PDPK1DHODH
SCHEMBL4095689 0.78 FLT3 (0.49) CHEK1FLT3KDRDHODH

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 3 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
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 2/4885FLT3 344/4885PIP5K1C 488/4885

“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.