SCHEMBL20758151

SCHEMBL20758151

CC(C)Cc1cnc2c(cnn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.38
APP P05067 1/20 0.36
NAMPT P43490 1/20 0.36
BCDIN3D Q7Z5W3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC8 Q9BY41 2/20 0.32
ABL1 P00519 1/20 0.32
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7 P36402 1/20 0.31
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL20758351 0.86 CACNA1H (0.36) CACNA1HAPPNAMPTMEN1KMT2A
SCHEMBL22778947 0.81 CACNA1H (0.40) CACNA1HAPPNAMPTMEN1KMT2A
SCHEMBL30341644 0.77 CACNA1H (0.38) CACNA1HAPPNAMPTMEN1KMT2A
SCHEMBL20421239 0.74 CACNA1H (0.48) CACNA1HAPPNAMPTHDAC8SMN1; SMN2
SCHEMBL1618004 0.74 APP (0.39) CACNA1HAPPNAMPTMEN1KMT2A
SCHEMBL8222771 0.73 CTNNB1 (0.51) CACNA1HCTNNB1TCF7
SCHEMBL22607388 0.73 TP53 (0.34) CACNA1HNAMPTHDAC8ABL1SMN1; SMN2
SCHEMBL21260285 0.73 CACNA1H (0.33) CACNA1HNAMPTHDAC8KDM4E
SCHEMBL8253677 0.71 MPO (0.44) CACNA1HHDAC8ABL1CTNNB1TCF7
SCHEMBL7920028 0.71 CCR1 (0.43) CACNA1HAPPNAMPTMEN1KMT2A

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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-02-21 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 (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-20190053492-A1 SUBSTITUTED PYRIDINE COMPOUNDS AS PESTICIDES CHRM1, CHRM2, ACHE CACNA1H 1195/4885APP 661/4885NAMPT 757/4885

“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.