SCHEMBL18797359

SCHEMBL18797359

CC(C)O[C@H]1CC[C@H](C(=O)N2Cc3cc(F)cnc3Nc3ccc(N4C[C@@H]5CC[C@H]4CO5)cc32)OC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 1.00
NR1I2 O75469 1/20 0.81
CYP3A4 P08684 1/20 0.81

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
SCHEMBL18797433 1.00 IDH1 (1.00) IDH1NR1I2CYP3A4
SCHEMBL22368215 1.00 IDH1 (1.00) IDH1NR1I2CYP3A4
SCHEMBL20539073 1.00 IDH1 (1.00) IDH1NR1I2CYP3A4
SCHEMBL18797389 0.91 IDH1 (1.00) IDH1
SCHEMBL18797391 0.91 IDH1 (1.00) IDH1
SCHEMBL18797398 0.90 IDH1 (1.00) IDH1NR1I2CYP3A4
SCHEMBL17814269 0.89 IDH1 (1.00) IDH1NR1I2CYP3A4
SCHEMBL17814267 0.89 IDH1 (1.00) IDH1NR1I2CYP3A4
SCHEMBL21305740 0.86 IDH1 (1.00) IDH1
SCHEMBL18797311 0.86 IDH1 (1.00) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3371191-B1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-08-26 EP claimed
US-10399972-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-09-03 US claimed
US-20180305352-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2018-10-25 US claimed
EP-3371191-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2018-09-12 EP claimed
WO-2017074914-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO claimed
EP-3371191-B1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-08-26 EP disclosed
US-10399972-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-09-03 US disclosed
US-10399972-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-09-03 US disclosed
US-20180305352-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2018-10-25 US disclosed
EP-3371191-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2018-09-12 EP disclosed
WO-2017074914-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO disclosed
WO-2017074914-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-05-04 WO 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 (2 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-10399972-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH3B, IDH2 IDH1 4/4885NR1I2 1121/4885CYP3A4 339/4885
US-20180305352-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3B, IDH3A, IDH2 IDH1 4/4885NR1I2 1035/4885CYP3A4 511/4885

“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.