SCHEMBL3762092

SCHEMBL3762092

Cn1cc(Nc2nccc(-c3c(-c4ccc5[nH]c(-c6ccccc6)nc5c4)nc4ccccn34)n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.52
INSR P06213 2/20 0.52
BRAF P15056 4/20 0.46
CDK2 P24941 3/20 0.46
CDK4 P11802 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK19 Q9BWU1 3/20 0.43
ALK Q9UM73 2/20 0.43
BACE1 P56817 2/20 0.43
BACE2 Q9Y5Z0 2/20 0.43
KIT P10721 2/20 0.41
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CHEK2 O96017 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
SCHEMBL3761154 0.89 IGF1R (0.44) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3766452 0.88 IGF1R (0.48) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3762101 0.83 CDK2 (0.55) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3769666 0.79 BACE1 (0.51) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3760617 0.78 CDK19 (0.43) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3760388 0.78 CDK19 (0.58) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3769673 0.77 CDK2 (0.54) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3760297 0.75 CDK2 (0.59) IGF1RINSRCDK2CDK4CCNE1
SCHEMBL3722167 0.75 CDK19 (0.69) IGF1RINSRBRAFCDK2CDK4
SCHEMBL3764181 0.74 BACE1 (0.51) IGF1RINSRBACE1BACE2KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP claimed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US claimed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO claimed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 US claimed
EP-2435435-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-01-29 EP disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 IGF1R 1/4885INSR 15/4885BRAF 295/4885

“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.