SCHEMBL19686470

SCHEMBL19686470

Cc1csc(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCC(CO)C3)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 11/20 0.41
PTGER4 P35408 1/20 0.35
HRH4 Q9H3N8 3/20 0.35
IDH2 P48735 1/20 0.34
P2RX7 Q99572 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PRKD1 Q15139 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
LCK P06239 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
SCHEMBL19687131 0.87 IDH1 (0.38) IDH1HRH4IDH2
SCHEMBL19687081 0.86 IDH1 (0.37) IDH1IDH2IRAK4
SCHEMBL19686471 0.86 IDH1 (0.44) IDH1HRH4IDH2
SCHEMBL19686475 0.86 IDH1 (0.41) IDH1HRH4IDH2PRKD1PRKD2
SCHEMBL19686472 0.85 IDH1 (0.44) IDH1HRH4IDH2
SCHEMBL19686476 0.84 CHRM3 (0.46) IDH1HRH4IDH2
SCHEMBL19686478 0.83 HRH4 (0.47) IDH1HRH4IDH2PRKD1PRKD2
SCHEMBL19686469 0.83 IDH1 (0.40) IDH1IDH2
SCHEMBL19687010 0.83 IDH1 (0.40) IDH1HRH4IDH2
SCHEMBL19686480 0.83 IDH1 (0.42) IDH1HRH4IDH2

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 3 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
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 3017/4885PTGER4 1339/4885HRH4 2164/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885PTGER4 1339/4885HRH4 2164/4885

“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.