SCHEMBL9911276

SCHEMBL9911276

CNc1cc(C)ccc1Nc1nc(Nc2cccc(OCC(=O)OC(C)C)c2C)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 9/20 0.44
LRRK2 Q5S007 5/20 0.43
ALK Q9UM73 4/20 0.42
INSR P06213 2/20 0.42
IGF1R P08069 2/20 0.42
ULK1 O75385 1/20 0.41
EGFR P00533 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
SCHEMBL9911278 0.89 MAPK3 (0.47) MAPK3LRRK2ALKINSRIGF1R
SCHEMBL9911279 0.88 LRRK2 (0.47) MAPK3LRRK2ALKINSRIGF1R
SCHEMBL9911280 0.85 LRRK2 (0.45) MAPK3LRRK2ALKINSRIGF1R
SCHEMBL1707166 0.82 ALK (0.49) MAPK3LRRK2ALKEGFR
SCHEMBL9911273 0.72 MAPK3 (0.53) MAPK3LRRK2ALKINSR
SCHEMBL9911272 0.72 LRRK2 (0.52) MAPK3LRRK2ALKULK1
SCHEMBL9911283 0.72 ALK (0.57) LRRK2ALKINSR
SCHEMBL1706980 0.71 MAPK3 (0.52) MAPK3LRRK2ALKEGFR
SCHEMBL9911274 0.71 MAPK3 (0.58) MAPK3LRRK2
SCHEMBL9912364 0.70 ALK (0.51) MAPK3LRRK2ALKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 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-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 MAPK3 978/4885LRRK2 3072/4885ALK 2709/4885

“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.