SCHEMBL3535802

SCHEMBL3535802

CC(C)OCc1cccc2c(-c3nc4ccc(N5CC(CN(C)C)OCC5C)cc4[nH]3)n[nH]c12

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 13/20 0.37
FLT1 P17948 8/20 0.37
KDR P35968 1/20 0.35
ABL1 P00519 7/20 0.34
FLT3 P36888 1/20 0.33
PDPK1 O15530 1/20 0.33
MAP3K8 P41279 1/20 0.33
BCR P11274 1/20 0.32

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
SCHEMBL3539088 0.94 FGFR1 (0.39) FGFR1FLT1KDRABL1FLT3
SCHEMBL3534989 0.89 FGFR1 (0.38) FGFR1FLT1KDRABL1FLT3
SCHEMBL3538556 0.89 ABL1 (0.39) FGFR1FLT1KDRABL1BCR
SCHEMBL5866691 0.86 FGFR1 (0.40) FGFR1FLT1KDRABL1FLT3
SCHEMBL3538157 0.86 MAP3K8 (0.41) FGFR1FLT1KDRABL1FLT3
SCHEMBL3533971 0.86 MAP3K8 (0.44) FGFR1FLT1KDRABL1FLT3
SCHEMBL3532400 0.83 FGFR1 (0.54) FGFR1FLT1KDRABL1FLT3
SCHEMBL3536592 0.82 FGFR1 (0.40) FGFR1FLT1KDRABL1FLT3
SCHEMBL3532552 0.82 PDPK1 (0.40) FGFR1FLT1ABL1FLT3PDPK1
SCHEMBL3595759 0.81 FGFR1 (0.38) FGFR1FLT1ABL1FLT3PDPK1

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
US-7645764-B2 Kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2010-01-12 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
EP-2094698-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D]PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. Hoffmann-Roche AG (CH) 2009-09-02 EP disclosed
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide ROCHE PALO ALTO LLC 2008-06-05 US disclosed
WO-2008055842-A1 SUBSTITUTED 6-PHENYL-PYRIDO [2,3-D] PYRIMIDIN-7-ONE DERIVATIVES AS KINASE INHIBITORS AND METHODS FOR USING THE SAME F. HOFFMANN-LA ROCHE AG (CH) 2008-05-15 WO disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 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 (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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK FGFR1 886/4885FLT1 2793/4885KDR 2852/4885
US-20080132528-A1 Fused pyrimido-pyridone derivatives; to treat p38 MAP kinase-mediated and Raf kinase-mediated diseases; side effects reduction; broad spectrum antiproliferative agents; N-Cyclopropyl-4-methyl-3-[8-methyl-7-oxo-2-(tetrahydro-pyran-4-ylamino)-7,8-dihydro-pyrido[2,3-d]pyrimidin-6-yl]-benzamide MAP3K6, MAP3K1, MAP3K2 FGFR1 312/4885FLT1 702/4885KDR 409/4885

“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.