SCHEMBL21112068

SCHEMBL21112068

CC(Nc1cccc(-n2ccnc2)c1)c1nc2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 8/20 0.49
▸ IDO1 P14902 1/20 0.46
▸ IGF1R P08069 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CD38 P28907 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ PDGFRB P09619 1/20 0.37
▸ BCR P11274 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PDGFRA P16234 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ SYK P43405 1/20 0.36

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
SCHEMBL17603327 1.00 IDH1 (0.49) IDH1IDO1IGF1RALDH1A1MAPT
SCHEMBL17603876 0.85 IDH1 (0.51) IDH1IDO1
SCHEMBL19991421 0.85 IDH1 (0.51) IDH1IDO1
SCHEMBL17603444 0.84 IDH1 (0.69) IDH1
SCHEMBL20559954 0.84 IDH1 (0.69) IDH1
SCHEMBL17601672 0.82 IDH1 (0.73) IDH1
SCHEMBL21112063 0.79 IDH1 (0.49) IDH1ALDH1A1MAPTCYP2C19HRH4
SCHEMBL17603484 0.79 IDH1 (0.49) IDH1ALDH1A1MAPTCYP2C19HRH4
SCHEMBL20559356 0.77 IDH1 (0.56) IDH1IDO1ABL1PDGFRBBCR
SCHEMBL17603416 0.77 IDH1 (0.56) IDH1IDO1ABL1PDGFRBBCR

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 1/4885IDO1 230/4885IGF1R 3162/4885

“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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