SCHEMBL21144157

SCHEMBL21144157

FC1(F)CCC(Nc2cc(Cl)nc(N3CCOCC3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
RAF1 P04049 2/20 0.43
BRAF P15056 1/20 0.43
KMT2A Q03164 3/20 0.42
IDH1 O75874 4/20 0.40
IDH2 P48735 3/20 0.40
LRRK2 Q5S007 3/20 0.40
CCNT1 O60563 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
EHMT1 Q9H9B1 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CA P42336 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
SCHEMBL31127217 1.00 CYP1A2 (0.45) CYP1A2CYP2D6MAPTRAF1BRAF
SCHEMBL19686807 0.86 RAF1 (0.54) CYP1A2CYP2D6MAPTRAF1BRAF
Hydrochloric Acid SCHEMBL23360593 0.82 CYP1A2 (0.46) CYP1A2CYP2D6MAPTRAF1BRAF
Hydrochloric Acid SCHEMBL29862619 0.82 CYP1A2 (0.46) CYP1A2CYP2D6MAPTRAF1BRAF
SCHEMBL19686450 0.79 SMN1; SMN2 (0.50) MAPTRAF1KMT2ALRRK2EHMT2
SCHEMBL23275137 0.79 RAF1 (0.52) CYP1A2CYP2D6MAPTRAF1BRAF
SCHEMBL31127374 0.79 LRRK2 (0.42) CYP1A2CYP2D6MAPTRAF1BRAF
SCHEMBL21144012 0.79 LRRK2 (0.42) CYP1A2CYP2D6MAPTRAF1BRAF
SCHEMBL19687073 0.79 IDH1 (0.38) CYP1A2MAPTRAF1KMT2AIDH1
SCHEMBL19687282 0.74 KCNN3 (0.40) MAPTKMT2AIDH1IDH2MEN1

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 CYP1A2 1148/4885CYP2D6 1366/4885MAPT 2009/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 CYP1A2 1148/4885CYP2D6 1366/4885MAPT 2009/4885

“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.