SCHEMBL21165846

SCHEMBL21165846

Cc1csc(-c2cc(N3CCOCC3)cc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 8/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
IDH1 O75874 7/20 0.37
IDH2 P48735 1/20 0.37
PIK3CA P42336 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
AKT1 P31749 1/20 0.34
MTOR P42345 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL19686414 0.89 PIK3R2 (0.40) PIK3R2IRAK4PIK3CAHRH4CYP1A1
SCHEMBL21165913 0.89 IDH1 (0.35) PIK3R2IDH1IDH2HRH4
SCHEMBL19687111 0.88 HRH4 (0.34) PIK3R2IDH1IDH2HRH4
SCHEMBL21165847 0.87 IDH1 (0.36) PIK3R2IRAK4IDH1IDH2HRH4
SCHEMBL21144306 0.86 PIK3CA (0.46) PIK3R2IRAK4PIK3CA
SCHEMBL19686416 0.85 IDH1 (0.37) IRAK4IDH1IDH2HRH4
SCHEMBL21165919 0.84 SYK (0.36) IRAK4IDH1IDH2HRH4
SCHEMBL19686419 0.84 IDH1 (0.37) IDH1IDH2HRH4
SCHEMBL19686418 0.83 IRAK4 (0.38) PIK3R2IRAK4PIK3CAHRH4CYP1A1
SCHEMBL19686356 0.83 RAF1 (0.44) PIK3R2IRAK4IDH1IDH2PIK3CA

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 PIK3R2 2034/4885IRAK4 1952/4885IDH1 3017/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 PIK3R2 2034/4885IRAK4 1952/4885IDH1 3017/4885

“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.