SCHEMBL21166232

SCHEMBL21166232

CNNc1nc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2D6 P10635 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 4/20 0.57
RAF1 P04049 1/20 0.56
BRAF P15056 1/20 0.56
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
PIK3CB P42338 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL14804579 0.88 CYP1A2 (0.60) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL8348735 0.81 RAF1 (0.58) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL12963488 0.79 RAF1 (0.56) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL12933402 0.78 RAF1 (0.58) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL19687408 0.78 GBA1 (0.46) RAF1BRAFNPC1RAB9AALDH1A1
SCHEMBL23321223 0.77 LMNA (0.64) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL19708892 0.77 FPR2 (0.42) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL30353341 0.76 CYP1A2 (0.66) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL913131 0.76 CYP1A2 (0.66) CYP1A2CYP2D6MAPTKMT2ARAF1
SCHEMBL28085087 0.76 MAPT (0.63) CYP1A2CYP2D6MAPTKMT2ARAF1

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 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.