SCHEMBL21112063

SCHEMBL21112063

Cc1nnnn1-c1cccc(NC(C)c2nc3cc(Cl)ccc3[nH]c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 11/20 0.49
▸ HRH4 Q9H3N8 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TDP2 O95551 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL17603484 1.00 IDH1 (0.49) IDH1HRH4SMN1; SMN2CYP1A2CYP2C19
SCHEMBL17604002 0.85 IDH1 (0.53) IDH1
SCHEMBL19991415 0.85 IDH1 (0.53) IDH1
SCHEMBL17603373 0.85 IDH1 (0.68) IDH1
SCHEMBL20559461 0.85 IDH1 (0.68) IDH1
SCHEMBL17601638 0.81 IDH1 (0.74) IDH1
SCHEMBL17603327 0.79 IDH1 (0.49) IDH1HRH4CYP2C19MAPTALDH1A1
SCHEMBL21112068 0.79 IDH1 (0.49) IDH1HRH4CYP2C19MAPTALDH1A1
SCHEMBL20559199 0.78 IDH1 (0.49) IDH1HRH4SMN1; SMN2CYP1A2CYP2C19
SCHEMBL20559203 0.78 IDH1 (0.49) IDH1HRH4SMN1; SMN2CYP1A2CYP2C19

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-20190210970-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS FORMA THERAPEUTICS, INC. 2019-07-11 — — 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-20190210970-A1 PHENYL QUINOLINONE DERIVATIVES AS MUTANT-ISOCITRATE DEHYDROGENASE INHIBITORS IDH1, IDH2, IDH3A IDH1 1/4885HRH4 3004/4885SMN1; SMN2 3908/4885

“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.

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