SCHEMBL6399896

SCHEMBL6399896

C[C@@H](Nc1nc(O)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.57
INSR P06213 3/20 0.57
TEK Q02763 3/20 0.57
PDGFRB P09619 2/20 0.57
PDGFRA P16234 2/20 0.57
CSF1R P07333 1/20 0.57
SYK P43405 3/20 0.47
IRAK4 Q9NWZ3 6/20 0.46
MAP4K1 Q92918 1/20 0.46
IKBKB O14920 2/20 0.45
PFKFB3 Q16875 2/20 0.44
KCNH3 Q9ULD8 1/20 0.42
TOP2A P11388 1/20 0.42

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
SCHEMBL6394114 1.00 KDR (0.57) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6394127 1.00 KDR (0.57) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6729957 0.86 IRAK4 (0.56) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6395906 0.85 KDR (0.60) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6397216 0.85 KDR (0.48) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6313522 0.82 KDR (0.51) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6397207 0.82 KDR (0.51) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6313512 0.82 KDR (0.51) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6729217 0.81 KDR (0.50) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6392417 0.81 KDR (0.84) KDRINSRTEKPDGFRBPDGFRA

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 11 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
CN-106232595-B Diaminotriazine compounds as herbicides 巴斯夫欧洲公司 2020-01-14 CN disclosed
US-9822105-B2 Diaminotriazine compounds as herbicides BASF SE (DE) 2017-11-21 US disclosed
EP-3134400-A1 DIAMINOTRIAZINE COMPOUNDS AS HERBICIDES BASF SE (DE) 2017-03-01 EP disclosed
US-20170050954-A1 Diaminotriazine Compounds as Herbicides BASF SE (DE) 2017-02-23 US disclosed
WO-2015162169-A1 DIAMINOTRIAZINE COMPOUNDS AS HERBICIDES BASF SE (DE) 2015-10-29 WO disclosed
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 358/4885TEK 5/4885
US-20170050954-A1 Diaminotriazine Compounds as Herbicides NR4A3, RXRB, CBR3 KDR 936/4885INSR 835/4885TEK 2003/4885

“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.