SCHEMBL6406526

SCHEMBL6406526

Oc1nc(NCc2cccc(F)c2)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.52
INSR P06213 1/20 0.46
CSF1R P07333 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
TEK Q02763 1/20 0.46
NTRK1 P04629 3/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNH3 Q9ULD8 5/20 0.43
SYK P43405 1/20 0.43
JAK3 P52333 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
APP P05067 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40

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
SCHEMBL6315627 0.88 KDR (0.64) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6400760 0.85 KDR (0.47) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6405778 0.84 KDR (0.52) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6403872 0.84 JAK3 (0.50) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6397615 0.83 KDR (0.53) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6400459 0.82 PFKFB3 (0.52) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6394934 0.82 KDR (0.44) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6731642 0.82 KDR (0.49) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6400771 0.81 KDR (0.48) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6405264 0.81 KDR (0.53) KDRINSRCSF1RPDGFRBPDGFRA

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-1549645-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, Inc. (US) 2005-07-06 EP claimed
US-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-10 US claimed
WO-2004031184-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. (US) 2004-04-15 WO claimed
EP-1549645-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, Inc. (US) 2005-07-06 EP disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
US-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-10 US disclosed
WO-2004031184-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. (US) 2004-04-15 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors TIE1, KDR, FLT1 KDR 2/4885INSR 358/4885CSF1R 152/4885

“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.