SCHEMBL21144161

SCHEMBL21144161

Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC4C(C3)C4NC(=O)O)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 11/20 0.40
KDM1A O60341 1/20 0.33
TPH1 P17752 3/20 0.32
CD38 P28907 1/20 0.32
IDH2 P48735 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
KHK P50053 3/20 0.31
PDE10A Q9Y233 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
SCHEMBL31127133 0.89 IDH1 (0.38) IDH1TPH1IDH2PDE10A
SCHEMBL19686538 0.89 IDH1 (0.38) IDH1TPH1IDH2PDE10A
SCHEMBL19686290 0.87 IDH1 (0.42) IDH1IDH2
SCHEMBL19686817 0.84 IDH1 (0.45) IDH1IDH2
SCHEMBL19686816 0.83 IDH1 (0.43) IDH1IDH2
SCHEMBL24061661 0.82 CHRM3 (0.46) IDH1IDH2ADORA2AADORA1PDE10A
SCHEMBL19686537 0.82 IDH1 (0.39) IDH1TPH1IDH2
SCHEMBL19686668 0.81 IDH1 (0.42) IDH1IDH2ADORA2AADORA1
SCHEMBL19687100 0.81 IDH1 (0.42) IDH1IDH2
SCHEMBL21165864 0.81 IDH1 (0.43) IDH1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885KDM1A 1088/4885TPH1 2221/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885KDM1A 1088/4885TPH1 2221/4885

“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.