SCHEMBL22528802

SCHEMBL22528802

CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(-n4cnc(C)c4)cc(C(F)(F)F)c3)cc2)ncn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 12/20 0.66
▸ BRAF P15056 10/20 0.66
▸ MAPK14 Q16539 10/20 0.66
▸ TNNI3K Q59H18 10/20 0.66
▸ NR2E1 Q9Y466 5/20 0.63
▸ MAP4K2 Q12851 1/20 0.60
▸ LDLR P01130 1/20 0.53
▸ KIT P10721 1/20 0.53
▸ PCSK9 Q8NBP7 1/20 0.53
▸ RAF1 P04049 1/20 0.51

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
SCHEMBL22528864 0.89 KDR (0.66) KDRBRAFMAPK14TNNI3KNR2E1
SCHEMBL10301397 0.84 NR2E1 (0.66) KDRBRAFMAPK14TNNI3KNR2E1
SCHEMBL12972384 0.84 NR2E1 (0.54) KDRBRAFMAPK14TNNI3KNR2E1
SCHEMBL5452552 0.83 NR2E1 (0.51) KDRBRAFMAPK14TNNI3KNR2E1
SCHEMBL2840607 0.80 KDR (0.56) KDRBRAFMAPK14TNNI3KNR2E1
SCHEMBL2845565 0.80 KDR (0.66) KDRBRAFMAPK14TNNI3KNR2E1
SCHEMBL3183280 0.80 KDR (1.00) KDRBRAFMAPK14TNNI3K
SCHEMBL13261062 0.79 NR2E1 (1.00) NR2E1
SCHEMBL22528887 0.76 KDR (0.72) KDRBRAFMAPK14TNNI3KMAP4K2
SCHEMBL10301398 0.75 NR2E1 (0.63) KDRBRAFNR2E1MAP4K2KIT

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 6 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
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 40/4885BRAF 14/4885MAPK14 356/4885
US-11602534-B2 Pyrimidine derivative kinase inhibitors FLT3, PDGFRB, PDGFRA KDR 40/4885BRAF 14/4885MAPK14 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.

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