SCHEMBL2452945

SCHEMBL2452945

Nc1ncnc(Oc2ccc3[nH]ccc3c2F)c1C=O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.73
RET P07949 3/20 0.46
DRD1 P21728 1/20 0.46
TRPA1 O75762 1/20 0.44

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
SCHEMBL12303457 0.84 KDR (1.00) KDRRET
SCHEMBL2455241 0.84 KDR (1.00) KDRRET
SCHEMBL2453636 0.82 KDR (0.76) KDRRET
SCHEMBL2447882 0.78 KDR (0.74) KDRRETDRD1TRPA1
SCHEMBL2454635 0.71 KDR (0.74) KDRRET
SCHEMBL14414571 0.70 KDR (0.76) KDRRET
SCHEMBL12303498 0.68 KDR (1.00) KDRRET
SCHEMBL2456687 0.68 KDR (1.00) KDRRET
SCHEMBL2456690 0.68 KDR (1.00) KDRRET
SCHEMBL2451345 0.68 KDR (0.43) KDRRET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013153-B2 Substituted pyrimidine kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2011-09-06 US disclosed
US-7297747-B2 Polymerization process and polymer composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-11-20 US disclosed
US-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 US disclosed
WO-2007109783-A2 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 WO disclosed
US-7122498-B2 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-10-17 US disclosed
US-6870016-B1 Polymerization process and polymer composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-22 US disclosed
US-20050059785-A1 Polymerization process and polymer composition HART JAMES R (US) 2005-03-17 US disclosed
US-20050054520-A1 Metallocenes and catalyst compositions derived therefrom EXXONMOBIL CHEMICAL PATENT INC. 2005-03-10 US disclosed
EP-1421090-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2004-05-26 EP disclosed
WO-2003002583-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-09 WO 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-20070254896-A1 SUBSTITUTED PYRIMIDINE KINASE INHIBITORS DTYMK, TK1, DCK KDR 1975/4885RET 577/4885DRD1 4754/4885

“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.