SCHEMBL8965010

SCHEMBL8965010

C=Cc1cncc(C(=O)c2cc(C(F)(F)F)cc(N3CCCNCC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
PIM2 Q9P1W9 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ADRB1 P08588 2/20 0.37
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
PRKCA P17252 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNA7 P36544 1/20 0.35
MAOB P27338 1/20 0.34
HTR2C P28335 1/20 0.34
MCHR1 Q99705 1/20 0.34
CASP1 P29466 2/20 0.34
CASP5 P51878 2/20 0.34
CASP4 P49662 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL8964998 0.85 PIM2 (0.47) CHRNB2CHRNA4PIM2PRKCAPRKCQ
SCHEMBL9008503 0.83 PRKCQ (0.47) PIM2SMN1; SMN2ADRB1PRKD1PRKD2
SCHEMBL13857168 0.83 PRKCA (0.39) PIM2SMN1; SMN2ADRB1PRKD1PRKD2
SCHEMBL8964036 0.83 PRKCA (0.52) CHRNB2CHRNA4PIM2PRKCAPRKCQ
SCHEMBL8964785 0.77 PRKCA (0.52) CHRNB2CHRNA4PIM2ADRB1PRKCA
SCHEMBL8964982 0.72 PRKCA (0.49) CHRNB2CHRNA4SMN1; SMN2ADRB1PRKD1
SCHEMBL8965021 0.72 PIM2 (0.52) CHRNB2CHRNA4PIM2PRKCAPRKCQ
SCHEMBL8965888 0.72 PRKCA (0.51) CHRNB2CHRNA4PIM2PRKCAPRKCQ
SCHEMBL13857133 0.70 PIM2 (0.44) CHRNB2CHRNA4PIM2PRKCAPRKCQ
SCHEMBL9011731 0.70 PRKCQ (0.51) CHRNB2CHRNA4PIM2PRKCAPRKCQ

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 CHRNB2 4583/4885CHRNA4 4655/4885PIM2 415/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CHRNB2 4583/4885CHRNA4 4655/4885PIM2 415/4885

“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.