SCHEMBL4096515

SCHEMBL4096515

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.54
FLT1 P17948 1/20 0.54
BRD4 O60885 1/20 0.52
KDM4E B2RXH2 6/20 0.51
RAB9A P51151 5/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 4/20 0.50
CHEK1 O14757 3/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
BTK Q06187 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
HSD17B10 Q99714 2/20 0.47

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
SCHEMBL4097487 0.82 CHEK1 (0.51) FGFR1FLT1BRD4KDM4ERAB9A
SCHEMBL4089768 0.82 HPSE (0.47) KDM4ERAB9AALDH1A1KMT2ANPC1
SCHEMBL12106570 0.81 CHEK1 (0.41) BRD4KDM4ERAB9AALDH1A1HPGD
SCHEMBL13849263 0.80 FLT3 (0.56) FGFR1FLT1BRD4CHEK1CDK4
SCHEMBL13849191 0.78 FLT3 (0.65) KDM4EHSD17B10
SCHEMBL4090790 0.78 CHEK1 (0.43) FGFR1FLT1BRD4RAB9AHPGD
SCHEMBL13849202 0.78 FLT3 (0.61) CHEK1
SCHEMBL4090783 0.78 CHEK1 (0.56) FGFR1FLT1BRD4CHEK1SMN1; SMN2
SCHEMBL1299865 0.77 PKN1 (0.49) KDM4ERAB9AALDH1A1HPGDKMT2A
SCHEMBL28760916 0.76 CHEK1 (0.54) FGFR1FLT1KDM4ERAB9AALDH1A1

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 4 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
EP-1891048-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS Vernalis (R&D) Limited (GB) 2008-02-27 EP disclosed
WO-2006134318-A1 PYRAZOLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AND AUTOIMMUNE DISORDERS VERNALIS R & D LIMITED (GB) 2006-12-21 WO 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 FGFR1 1040/4885FLT1 1322/4885BRD4 364/4885

“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.