SCHEMBL8964998

SCHEMBL8964998

C=Cc1cncc(C(=O)c2cncc(N3CCCNCC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 6/20 0.47
CHRNB2 P17787 6/20 0.46
CHRNA4 P43681 6/20 0.46
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL8964036 0.89 PRKCA (0.52) PIM2CHRNB2CHRNA4PRKCAPRKCQ
SCHEMBL8965010 0.85 CHRNB2 (0.41) PIM2CHRNB2CHRNA4HTR2CCHRNA1
SCHEMBL9011731 0.83 PRKCQ (0.51) PIM2CHRNB2CHRNA4ROCK2ROCK1
SCHEMBL13857133 0.83 PIM2 (0.44) PIM2CHRNB2CHRNA4ROCK2ROCK1
SCHEMBL8965021 0.77 PIM2 (0.52) PIM2CHRNB2CHRNA4KDM4ECYP3A4
SCHEMBL8965888 0.77 PRKCA (0.51) PIM2CHRNB2CHRNA4PRKCAPRKCQ
SCHEMBL8964879 0.73 HSD17B14 (0.53) PIM2KDM4EALDH1A1PRKCAPRKCQ
SCHEMBL5655634 0.72 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA1CHRNA7
SCHEMBL8964332 0.72 PRKCA (0.52) PIM2CHRNB2CHRNA4PRKCAPRKCQ
SCHEMBL8963649 0.71 PRKCA (0.53) PIM2CHRNB2CHRNA4ROCK2ROCK1

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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM2 415/4885CHRNB2 4583/4885CHRNA4 4655/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM2 415/4885CHRNB2 4583/4885CHRNA4 4655/4885

“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.