SCHEMBL19687101

SCHEMBL19687101

Cc1ccn(-c2cc(COC(N)=O)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
ROCK2 O75116 1/20 0.32
KDM1A O60341 2/20 0.32
MAOB P27338 1/20 0.31
ACKR3 P25106 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SYK P43405 1/20 0.31
CD38 P28907 1/20 0.31
GRIN2B Q13224 1/20 0.31
BRD4 O60885 1/20 0.31
CNR1 P21554 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
TPH1 P17752 2/20 0.31
KCNJ6 P48051 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
SCHEMBL31127359 1.00 IDH1 (0.35) IDH1JAK2JAK1TYK2JAK3
SCHEMBL19686777 0.90 IDH1 (0.34) IDH1JAK2JAK1TYK2JAK3
SCHEMBL19686407 0.87 IDH1 (0.38) IDH1CNR1
SCHEMBL31127120 0.85 IDH1 (0.39) IDH1CD38
SCHEMBL19687079 0.85 IDH1 (0.39) IDH1
SCHEMBL19686405 0.85 IDH1 (0.39) IDH1CD38
SCHEMBL19687060 0.84 GABRA1 (0.40) IDH1ROCK2SYKBRD4
SCHEMBL19686409 0.84 PDE2A (0.35) IDH1CD38BRD4NAPEPLD
SCHEMBL21143787 0.84 IDH1 (0.41) IDH1JAK2JAK1TYK2JAK3
SCHEMBL21144169 0.84 IDH1 (0.40) IDH1BRD4

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 5 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-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
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885JAK2 2732/4885JAK1 2686/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885JAK2 2732/4885JAK1 2686/4885

“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.