SCHEMBL22185893

SCHEMBL22185893

Cc1ccc(-n2cnc(C(C)C)c2)nn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.36
▸ OGA O60502 1/20 0.34
▸ CYP2E1 P05181 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GCG P01275 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
SCHEMBL22199095 0.80 SCD (0.48) SCDCYP2E1CYP2A6KDM4E
SCHEMBL24385685 0.80 PANK3 (0.36) —
SCHEMBL22185894 0.77 GCG (0.36) SCDGCG
SCHEMBL22185892 0.75 TRPV1 (0.34) CYP2E1CYP2A6KDM4E
SCHEMBL13341971 0.75 KDM4E (0.56) KDM4E
SCHEMBL22184927 0.75 SMN1; SMN2 (0.39) —
SCHEMBL22184877 0.73 PDE2A (0.34) —
SCHEMBL22184960 0.72 PANK3 (0.37) OGAGCG
SCHEMBL11901185 0.72 GCG (0.36) OGAGCG
SCHEMBL22185839 0.71 CPB2 (0.44) —

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 — — 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A SCD 1400/4885OGA 1084/4885CYP2E1 249/4885

“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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