SCHEMBL22528892

SCHEMBL22528892

CNc1cc(Oc2ccc(NC(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)ncn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.72
TNNI3K Q59H18 11/20 0.72
MAPK14 Q16539 10/20 0.72
BRAF P15056 8/20 0.72
RAF1 P04049 6/20 0.71
MAPK3 P27361 2/20 0.71
STK25 O00506 1/20 0.67
CIT O14578 1/20 0.67
MAP2K7 O14733 1/20 0.67
IKBKB O14920 1/20 0.67
AURKA O14965 1/20 0.67
GAK O14976 1/20 0.67
CHUK O15111 1/20 0.67
MUSK O15146 1/20 0.67
MAPK13 O15264 1/20 0.67
MAP3K13 O43283 1/20 0.67
DAPK3 O43293 1/20 0.67
MAP3K7 O43318 1/20 0.67
RIPK2 O43353 1/20 0.67
JAK2 O60674 1/20 0.67

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
SCHEMBL22528887 0.91 KDR (0.72) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL4933039 0.89 KDR (0.71) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL22528938 0.88 KDR (0.67) KDRTNNI3KMAPK14BRAFRAF1
Dimethylamine SCHEMBL4937315 0.88 RAF1 (0.61) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL3177365 0.88 KDR (0.61) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL22528711 0.88 KDR (0.73) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL29827613 0.88 KDR (0.85) KDRBRAF
SCHEMBL22541638 0.88 KDR (0.85) KDRBRAF
SCHEMBL22528791 0.88 KDR (0.64) KDRTNNI3KMAPK14BRAFRAF1
SCHEMBL22592363 0.88 KDR (0.61) KDRTNNI3KMAPK14BRAFRAF1

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-3730483-B1 CLASS OF PYRIMIDINE DERIVATIVE KINASE INHIBITORS HEFEI INST PHYSICAL SCI CAS (CN) 2023-08-30 EP disclosed
EP-3730483-B1 CLASS OF PYRIMIDINE DERIVATIVE KINASE INHIBITORS HEFEI INST PHYSICAL SCI CAS (CN) 2023-08-30 EP disclosed
US-11602534-B2 Pyrimidine derivative kinase inhibitors HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (CN) 2023-03-14 US disclosed
EP-3730483-A1 CLASS OF PYRIMIDINE DERIVATIVE KINASE INHIBITORS Hefei Institutes of Physical Science, Chinese Academy of Sciences (CN) 2020-10-28 EP disclosed
US-20200323850-A1 PYRIMIDINE DERIVATIVE KINASE INHIBITORS HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (US) 2020-10-15 US disclosed
US-20200323850-A1 PYRIMIDINE DERIVATIVE KINASE INHIBITORS HEFEI INSTITUTES OF PHYSICAL SCIENCE, CHINESE ACADEMY OF SCIENCES (US) 2020-10-15 US disclosed
CN-108368060-B Pyrimidine derivative kinase inhibitors 中国科学院合肥物质科学研究院 2020-09-15 CN 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-20200323850-A1 PYRIMIDINE DERIVATIVE KINASE INHIBITORS FLT3, PDGFRB, PDGFRA KDR 40/4885TNNI3K 109/4885MAPK14 356/4885
US-11602534-B2 Pyrimidine derivative kinase inhibitors FLT3, PDGFRB, PDGFRA KDR 40/4885TNNI3K 109/4885MAPK14 356/4885

“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.