SCHEMBL17803000

SCHEMBL17803000

O=C1CCC(C(=O)N2Cc3cccnc3Nc3ccc(N4CCOCC4)cc32)CC1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 20/20 0.89
NR1I2 O75469 1/20 0.89

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
SCHEMBL17814316 0.95 IDH1 (0.85) IDH1NR1I2
SCHEMBL17807001 0.94 IDH1 (1.00) IDH1NR1I2
SCHEMBL17814362 0.92 IDH1 (0.87) IDH1NR1I2
SCHEMBL22184656 0.92 IDH1 (0.98) IDH1NR1I2
SCHEMBL17814433 0.91 IDH1 (1.00) IDH1NR1I2
SCHEMBL22184970 0.91 IDH1 (0.97) IDH1NR1I2
SCHEMBL17802995 0.91 IDH1 (0.87) IDH1NR1I2
SCHEMBL22184697 0.90 IDH1 (0.85) IDH1NR1I2
SCHEMBL17803302 0.90 IDH1 (1.00) IDH1NR1I2
SCHEMBL22184650 0.90 IDH1 (0.84) IDH1NR1I2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed
EP-3226688-B1 TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-07-01 EP disclosed
EP-3226690-B1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-05-20 EP disclosed
EP-3226690-B1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME (US) 2020-05-20 EP disclosed
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-10-15 US disclosed
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2019-10-15 US disclosed
US-10086000-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-20170362220-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170360800-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
EP-3226690-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2017-10-11 EP disclosed
EP-3226689-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2017-10-11 EP disclosed
EP-3226688-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES Merck Sharp & Dohme Corp. (US) 2017-10-11 EP disclosed
WO-2016089830-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089830-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089797-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089833-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
WO-2016089833-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES MERCK SHARP & DOHME CORP. (US) 2016-06-09 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 (5 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-20170362220-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 IDH1 4/4885NR1I2 682/4885
US-20170360800-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 IDH1 4/4885NR1I2 609/4885
US-10442819-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH2, IDH3B IDH1 4/4885NR1I2 1298/4885
US-10086000-B2 Tricyclic compounds as inhibitors of mutant IDH enzymes IDH3A, IDH3B, IDH2 IDH1 4/4885NR1I2 659/4885
US-20170369507-A1 NOVEL TRICYCLIC COMPOUNDS AS INHIBITORS OF MUTANT IDH ENZYMES IDH3A, IDH3B, IDH2 IDH1 4/4885NR1I2 1302/4885

“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.