SCHEMBL5954590

SCHEMBL5954590

COc1ccc2nnc(Sc3ccc4nc(NC(=O)C5CC5)cn4n3)n2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 1/20 0.48
KDR P35968 16/20 0.46
MET P08581 3/20 0.44
PDGFRB P09619 2/20 0.42
FLT1 P17948 2/20 0.42
ABL1 P00519 2/20 0.42
CSF1R P07333 1/20 0.42
YES1 P07947 1/20 0.42
RET P07949 1/20 0.42
BCR P11274 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT4 P35916 1/20 0.42
ABL2 P42684 1/20 0.42
DDR1 Q08345 1/20 0.42
DDR2 Q16832 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
Q6ZSR9 Q6ZSR9 1/20 0.42
NEK1 Q96PY6 1/20 0.42
BMP2K Q9NSY1 1/20 0.42
CSNK1D P48730 1/20 0.41

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
SCHEMBL5955614 0.90 KDR (0.44) JAK1KDRMETPDGFRBFLT1
SCHEMBL5954859 0.90 KDR (0.44) JAK1KDRMETPDGFRBFLT1
SCHEMBL5955313 0.90 KDR (0.51) JAK1KDRMETPDGFRBFLT1
SCHEMBL251983 0.88 KDR (0.43) KDRMETPDGFRBFLT1ABL1
SCHEMBL5954879 0.87 KDR (0.43) JAK1KDRMETPDGFRBFLT1
SCHEMBL3397327 0.87 KDR (0.44) KDRMETCSNK1DCSNK1E
SCHEMBL5954869 0.87 KDR (0.48) KDRMETPDGFRBFLT1CSNK1D
SCHEMBL5955024 0.86 KDR (0.44) KDRMETPDGFRBFLT1CSNK1D
SCHEMBL252254 0.86 KDR (0.43) KDRMETCSNK1DCSNK1E
SCHEMBL250805 0.86 KDR (0.43) KDRMETCSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-8178534-B2 cMET inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-15 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US disclosed
US-20100063054-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-11 US 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-20100063054-A1 cMET INHIBITORS CEPT1, LCAT, GNMT JAK1 396/4885KDR 1387/4885MET 86/4885

“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.