SCHEMBL20003794

SCHEMBL20003794

CC(Cl)Nc1cc(I)ccn1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.36
HTR7 P34969 4/20 0.35
MAPK14 Q16539 8/20 0.34
TYK2 P29597 1/20 0.34
CAMK2D Q13557 1/20 0.32
MAPK10 P53779 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
NR4A2 P43354 1/20 0.31

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
SCHEMBL20197172 0.85 MAPK14 (0.42) FDPSHTR7MAPK14MAPK10HRH4
SCHEMBL3555705 0.76 HTR7 (0.59) HTR7MAPK14CAMK2D
SCHEMBL2730632 0.74
SCHEMBL1587747 0.73 HRH4 (0.52) MAPK14HRH4
SCHEMBL23212152 0.71 TYK2 (0.57) TYK2
SCHEMBL18298481 0.71 MAPK14 (0.47) MAPK14
SCHEMBL18298479 0.71 MAPK14 (0.47) MAPK14
SCHEMBL20260379 0.71 JAK2 (0.47) HTR7MAPK14
SCHEMBL31734260 0.70
SCHEMBL13457807 0.69 NOS2 (0.39) HTR7MAPK14HRH4

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-20180086733-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2018-03-29 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-20180086733-A1 PYRIDINYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH3A, IDH3B FDPS 855/4885HTR7 4285/4885MAPK14 3446/4885

“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.