SCHEMBL16624078

SCHEMBL16624078

Cc1ccc2c(n1)CCN(C(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CDK4 P11802 2/20 0.39
CDK2 P24941 2/20 0.39
CDK6 Q00534 2/20 0.39
HRH3 Q9Y5N1 3/20 0.36
PDE10A Q9Y233 1/20 0.35
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
ATR Q13535 1/20 0.34
BTK Q06187 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
OGA O60502 2/20 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
SCHEMBL18291451 0.85 PDCD1 (0.48) MAPTSMN1; SMN2CDK4CDK2CDK6
SCHEMBL27251619 0.84 EGFR (0.32)
SCHEMBL16624105 0.82 ASIC3 (0.39) MAPTSMN1; SMN2CDK4CDK2CDK6
SCHEMBL20203493 0.82 MAPT (0.38) MAPTSMN1; SMN2CDK4CDK2CDK6
SCHEMBL18806115 0.80 MAPT (0.36) MAPTSMN1; SMN2CDK4CDK2CDK6
SCHEMBL16624106 0.80 PDCD1 (0.41) MAPTSMN1; SMN2CDK4CDK2CDK6
SCHEMBL11129370 0.79 CDK4 (0.35) CDK4CDK2CDK6PDE10APDCD1
SCHEMBL17993870 0.78 CDK4 (0.37) MAPTSMN1; SMN2CDK4CDK2CDK6
SCHEMBL21730188 0.78 MAPT (0.36) MAPTSMN1; SMN2CDK4CDK2CDK6
SCHEMBL26779767 0.78 SLC6A9 (0.38) MAPTSMN1; SMN2CDK4CDK2CDK6

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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2015050212-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日産化学工業株式会社 2015-04-09 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 (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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H MAPT 479/4885SMN1; SMN2 4489/4885CDK4 2082/4885

“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.