SCHEMBL5483339

SCHEMBL5483339

CCc1n[nH]c2cc(Nc3nc(N(C)c4cccc(CS(C)(=O)=O)c4)ncc3F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.40
BTK Q06187 1/20 0.38
KDR P35968 9/20 0.38
PTK2 Q05397 3/20 0.35
PAK1 Q13153 1/20 0.35
SYK P43405 3/20 0.35
PTK2B Q14289 1/20 0.35
CCNT1 O60563 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL6098675 0.91 BTK (0.39) GRM4BTKKDRPTK2PAK1
SCHEMBL5407220 0.85 PAK1 (0.38) GRM4KDRPAK1SYK
SCHEMBL31672445 0.80 KDR (0.44) KDRPAK1CCNT1CCNE1CDK2
SCHEMBL10151156 0.80 KDR (0.44) KDRPAK1CCNT1CCNE1CDK2
SCHEMBL31672441 0.70 KDR (0.46) KDRPAK1CCNT1CCNE1CDK2
SCHEMBL2877133 0.70 KDR (0.46) KDRPAK1CCNT1CCNE1CDK2
SCHEMBL31672487 0.69 KDR (0.46) KDRCCNT1CCNE1CDK2CDK9
SCHEMBL10151171 0.69 KDR (0.46) KDRCCNT1CCNE1CDK2CDK9
Hydrochloric Acid SCHEMBL1687059 0.68 KDR (0.46) KDRCCNT1CCNE1CDK2CDK9
SCHEMBL589714 0.68 KDR (0.41) KDRCCNT1CCNE1CDK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US claimed

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-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 GRM4 4217/4885BTK 242/4885KDR 1/4885

“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.