SCHEMBL3258123

SCHEMBL3258123

COc1cc(Nc2nccc(-c3c[nH]nc3-c3ccccc3Cl)n2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.59
▸ CDK2 P24941 5/20 0.57
▸ EGFR P00533 4/20 0.57
▸ JAK2 O60674 1/20 0.57
▸ PIK3CA P42336 1/20 0.57
▸ PIK3CB P42338 1/20 0.57
▸ PIK3CG P48736 1/20 0.57
▸ PTK2B Q14289 1/20 0.57
▸ LCK P06239 4/20 0.53
▸ ZAP70 P43403 4/20 0.53
▸ PRKD3 O94806 3/20 0.53
▸ PRKCG P05129 3/20 0.53
▸ PRKCB P05771 3/20 0.53
▸ PRKCA P17252 3/20 0.53
▸ PRKCH P24723 3/20 0.53
▸ PRKCI P41743 3/20 0.53
▸ PRKCE Q02156 3/20 0.53
▸ PRKCQ Q04759 3/20 0.53
▸ PRKCZ Q05513 3/20 0.53
▸ PRKCD Q05655 3/20 0.53

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
SCHEMBL3254607 0.89 PIK3CA (0.61) RETCDK2EGFRJAK2PIK3CA
SCHEMBL3255561 0.87 CDK2 (0.61) RETCDK2EGFRJAK2PIK3CA
SCHEMBL3252211 0.87 CDK2 (0.73) RETCDK2EGFRJAK2PIK3CA
SCHEMBL3258028 0.85 RET (0.58) RETCDK2EGFRJAK2PIK3CA
SCHEMBL3250543 0.81 CDK2 (0.55) RETCDK2EGFRJAK2PIK3CA
SCHEMBL3254612 0.79 CLK1 (0.53) RETCDK2EGFRJAK2PIK3CA
SCHEMBL3255217 0.77 PIK3CA (0.58) RETCDK2EGFRJAK2PIK3CA
SCHEMBL4362670 0.77 RET (0.68) RETCDK2EGFRJAK2PIK3CA
SCHEMBL3256174 0.76 CDK2 (0.48) RETCDK2EGFRJAK2PIK3CA
SCHEMBL6979315 0.76 CDK2 (0.79) RETCDK2EGFRJAK2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1521749-B8 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-12-22 — — EP claimed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 — — US claimed
EP-1521749-A1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES Novartis AG (CH) 2005-04-13 — — EP claimed
WO-2004005282-A1 PHENYL-[4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2004-01-15 — — WO claimed
EP-1521749-B1 PHENYL-(4-(3-PHENYL-1H-PYRAZOL-4-YL)-PYRIMIDIN-2-Yl)-AMINE DERIVATIVES NOVARTIS AG (CH) 2010-05-19 — — EP disclosed
US-7691855-B2 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yl)-amine derivatives NOVARTIS AG (CH) 2010-04-06 — — US disclosed
US-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives FURET PASCAL 2006-05-18 — — 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-20060106027-A1 Phenyl-[4-(3-phenyl-1h-pyrazol-4-yl)-pyrimidin-2-yI)-amine derivatives MKI67, CCNI, PAH RET 1252/4885CDK2 22/4885EGFR 1331/4885

“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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