SCHEMBL12780201

SCHEMBL12780201

CCNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)ccc2OC)ncc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 2/20 0.56
▸ IGF1R P08069 3/20 0.54
▸ ULK1 O75385 2/20 0.53
▸ PTK2 Q05397 4/20 0.53
▸ EGFR P00533 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPK8 P45983 4/20 0.49
▸ MAPK9 P45984 2/20 0.48
▸ ALK Q9UM73 2/20 0.48
▸ CDC7 O00311 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ DCLK1 O15075 1/20 0.48

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
SCHEMBL12892936 0.93 ZAP70 (0.54) ZAP70IGF1RULK1PTK2EGFR
SCHEMBL12780183 0.91 IGF1R (0.54) ZAP70IGF1RULK1PTK2EGFR
SCHEMBL12780613 0.89 MAPK9 (0.58) IGF1RULK1PTK2EGFRMAPK1
SCHEMBL12780187 0.85 ULK1 (0.58) IGF1RULK1PTK2EGFRMAPK1
SCHEMBL12781575 0.84 ZAP70 (0.56) ZAP70IGF1RULK1PTK2EGFR
SCHEMBL17547457 0.81 ULK1 (0.64) ZAP70IGF1RULK1PTK2EGFR
SCHEMBL12781588 0.80 ALK (0.57) IGF1RULK1PTK2EGFRMAPK1
SCHEMBL1707698 0.79 PTK2 (0.64) ZAP70IGF1RULK1PTK2EGFR
SCHEMBL12780619 0.78 ZAP70 (0.69) ZAP70IGF1RULK1PTK2EGFR
SCHEMBL12780617 0.77 ZAP70 (0.68) ZAP70IGF1RULK1PTK2EGFR

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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 — — 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ZAP70 341/4885IGF1R 4627/4885ULK1 2595/4885

“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.

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