SCHEMBL344464

SCHEMBL344464

NC(=O)c1cccc(Nc2ncc3cnn(CC4CCC(N)CC4)c3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK19 Q9BWU1 1/20 0.47
ALK Q9UM73 1/20 0.47
AURKA O14965 2/20 0.45
IGF1R P08069 1/20 0.43
MERTK Q12866 5/20 0.43
NTRK1 P04629 1/20 0.41
CDK2 P24941 1/20 0.41
NEK2 P51955 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
SCN9A Q15858 1/20 0.41
CDK1 P06493 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL344465 1.00 CDK19 (0.47) CDK19ALKAURKAIGF1RMERTK
SCHEMBL10167422 0.81 MERTK (0.41) ALKAURKAIGF1RMERTKNTRK1
SCHEMBL343043 0.77 MERTK (0.42) ALKAURKAMERTKNTRK1CDK2
SCHEMBL343044 0.77 MERTK (0.42) ALKAURKAMERTKNTRK1CDK2
SCHEMBL10167428 0.77 MERTK (0.48) ALKAURKAIGF1RMERTKNTRK1
SCHEMBL344185 0.76 JAK1 (0.45) MERTK
SCHEMBL344186 0.76 JAK1 (0.45) MERTK
SCHEMBL343382 0.76 MERTK (0.57) AURKAMERTKCDK2CDK1
SCHEMBL31299866 0.76 MERTK (0.57) AURKAMERTKCDK2CDK1
SCHEMBL343383 0.76 MERTK (0.57) AURKAMERTKCDK2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 US claimed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 CDK19 122/4885ALK 2041/4885AURKA 784/4885

“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.