SCHEMBL1764950

SCHEMBL1764950

Cn1cnc(Nc2nc(N3CCC[C@H]3C(=O)O)nc3cccn23)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 12/20 0.45
SMN1; SMN2 Q16637 1/20 0.36
ITK Q08881 1/20 0.35
SYK P43405 2/20 0.35
KMT2A Q03164 1/20 0.34
PAK4 O96013 1/20 0.34

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
SCHEMBL1268979 0.89 IGF1R (0.43) ACVR1SMN1; SMN2SYKPAK4
SCHEMBL1268818 0.89 ACVR1 (0.47) ACVR1SMN1; SMN2KMT2APAK4
SCHEMBL1269074 0.88 ACVR1 (0.38) ACVR1SMN1; SMN2SYK
SCHEMBL25211964 0.85 ACVR1 (0.63) ACVR1
SCHEMBL20589842 0.85 ACVR1 (0.63) ACVR1
SCHEMBL1269113 0.83 IGF1R (0.49) ACVR1SYK
SCHEMBL1269220 0.80 IGF1R (0.37) SMN1; SMN2KMT2A
SCHEMBL20589419 0.80 ACVR1 (0.51) ACVR1
SCHEMBL14310680 0.79 ACVR1 (0.73) ACVR1
SCHEMBL12314366 0.79 ACVR1 (0.73) ACVR1

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-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-11-29 US claimed
US-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 US claimed
EP-2041138-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-25 EP 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-20110124623-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ACVR1 2717/4885SMN1; SMN2 3782/4885ITK 169/4885
US-20120302747-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, STK17A, STK35 ACVR1 2717/4885SMN1; SMN2 3782/4885ITK 169/4885

“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.