SCHEMBL21144238

SCHEMBL21144238

FC1(F)CCC(Nc2cc(Cl)nc(-n3cccn3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 8/20 0.46
IDH2 P48735 3/20 0.46
ADORA2A P29274 7/20 0.46
MAPK8 P45983 1/20 0.36
OPRK1 P41145 1/20 0.35
CCNT1 O60563 1/20 0.34
GBA1 P04062 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL31127141 1.00 IDH1 (0.46) IDH1IDH2ADORA2AMAPK8OPRK1
SCHEMBL31127128 0.81 IDH1 (0.58) IDH1IDH2OPRK1CCNT1
SCHEMBL21143768 0.81 IDH1 (0.58) IDH1IDH2OPRK1CCNT1
SCHEMBL19687117 0.80 LMNA (0.49) IDH1IDH2ADORA2ACCNT1MAPT
SCHEMBL19686534 0.80 IDH1 (0.48) IDH1IDH2OPRK1
SCHEMBL21144351 0.79 IDH1 (0.47) IDH1IDH2OPRK1CCNT1
SCHEMBL31127241 0.79 IDH1 (0.47) IDH1IDH2OPRK1CCNT1
SCHEMBL21144155 0.78 IDH1 (0.69) IDH1
SCHEMBL19686822 0.78 IDH1 (0.47) IDH1IDH2OPRK1CCNT1
SCHEMBL19686558 0.78 IDH1 (0.47) IDH1IDH2MAPK8OPRK1CCNT1

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 4 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

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 2447/4885ADORA2A 1711/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885ADORA2A 1711/4885

“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.