SCHEMBL4183660

SCHEMBL4183660

CN(C)c1ccc(CNc2nc(N)c3c(Cc4ccc(F)c(F)c4)cccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.43
CACNA1H O95180 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
APP P05067 8/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOS1 P29475 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MPO P05164 1/20 0.39
NTRK1 P04629 1/20 0.39
GAA P10253 2/20 0.38
GPR68 Q15743 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4197550 0.86 APP (0.43) CACNA1GCACNA1HCACNA1ICTNNB1TCF7L2
SCHEMBL4970180 0.78 DHFR (0.53)
SCHEMBL3642615 0.74 APP (0.57) CTNNB1TCF7L2APPNTRK1
SCHEMBL3641769 0.72 APP (0.60) CTNNB1TCF7L2APPNTRK1GAA
SCHEMBL4187859 0.69 APP (0.47) CTNNB1TCF7L2APPMPOGPR68
SCHEMBL21542012 0.68 HTR7 (0.41) CTNNB1TCF7L2APP
SCHEMBL3638423 0.68 KCNH3 (0.47) CTNNB1TCF7L2APP
SCHEMBL3640284 0.68 NPC1 (0.40) CTNNB1TCF7L2APPNPC1RAB9A
SCHEMBL29558515 0.68 MPO (0.47) MPOGAAMAPT
SCHEMBL20564674 0.67 KCNH3 (0.50) CTNNB1TCF7L2APPL3MBTL1MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048278-A1 Novel Quinazoline-2,4-Diamine Derivatives and Their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels NEUROSEARCH A/S (DK) 2009-02-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090048278-A1 Novel Quinazoline-2,4-Diamine Derivatives and Their Use as Modulators of Small-Conductance Calcium-Activated Potassium Channels KCNN2, KCNN3, KCNN1 CACNA1G 49/4885CACNA1H 59/4885CACNA1I 47/4885

“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.