SCHEMBL19687340

SCHEMBL19687340

Cc1ccn(-c2cc(N3CCNCC3)nc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.45
ROCK1 Q13464 2/20 0.39
TPH1 P17752 2/20 0.39
IDH2 P48735 3/20 0.38
APP P05067 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
PRKD1 Q15139 2/20 0.36
PRKD2 Q9BZL6 2/20 0.36

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
SCHEMBL31127134 1.00 IDH1 (0.45) IDH1ROCK1TPH1IDH2APP
SCHEMBL19686364 0.92 IDH1 (0.47) IDH1TPH1IDH2HRH4
SCHEMBL19687334 0.89 IDH1 (0.44) IDH1TPH1IDH2HRH4
SCHEMBL21143852 0.86 IDH1 (0.47) IDH1TPH1IDH2HRH4
SCHEMBL19686578 0.86 IDH1 (0.51) IDH1IDH2
SCHEMBL19686348 0.85 IDH1 (0.44) IDH1TPH1IDH2
SCHEMBL19686349 0.85 IDH1 (0.44) IDH1TPH1IDH2
SCHEMBL19687344 0.85 IDH1 (0.41) IDH1TPH1IDH2HRH4
SCHEMBL19687326 0.83 IDH1 (0.43) IDH1TPH1IDH2
SCHEMBL19687341 0.83 IDH1 (0.43) IDH1TPH1IDH2

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 3017/4885ROCK1 3175/4885TPH1 2221/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885ROCK1 3175/4885TPH1 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.