SCHEMBL21143642

SCHEMBL21143642

NC(=O)Oc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.39
IDH2 P48735 2/20 0.38
ROCK2 O75116 1/20 0.36
MAPK8 P45983 2/20 0.36
CNR1 P21554 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MAPK3 P27361 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CCNT1 O60563 1/20 0.33
LMNA P02545 1/20 0.33
PRCP P42785 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL21144369 0.84 IDH1 (0.37) IDH1ROCK2MAPK8CNR1KDM1A
SCHEMBL21143786 0.82 IDH1 (0.46) IDH1IDH2NOS3NOS1NOS2
SCHEMBL31127234 0.82 IDH1 (0.46) IDH1IDH2NOS3NOS1NOS2
SCHEMBL21143647 0.78 IDH1 (0.45) IDH1IDH2CNR1PDGFRBPDGFRA
SCHEMBL21143866 0.77 IDH1 (0.39) IDH1IDH2ROCK2MAPK8
SCHEMBL21143813 0.76 IDH1 (0.41) IDH1IDH2CNR1MAPK3CCNT1
SCHEMBL19686878 0.74 IDH1 (0.45) IDH1IDH2ROCK2MAPK8CNR1
SCHEMBL21143893 0.74 IDH1 (0.41) IDH1IDH2MAPK8CNR1CCNT1
SCHEMBL19687155 0.74 LMNA (0.47) IDH1IDH2ROCK2MAPK8CNR1
SCHEMBL31127185 0.74 IDH1 (0.41) IDH1IDH2MAPK8CNR1CCNT1

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 3017/4885IDH2 2447/4885ROCK2 3705/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885ROCK2 3705/4885

“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.