SCHEMBL3107624

SCHEMBL3107624

CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cccnc2NCc2ccc(=O)[nH]c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 6/20 0.47
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ MAPK14 Q16539 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ TRPV6 Q9H1D0 1/20 0.40
▸ KDR P35968 5/20 0.40
▸ CIT O14578 1/20 0.39
▸ MAP3K7 O43318 1/20 0.39
▸ RIPK2 O43353 1/20 0.39
▸ STK10 O94804 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ RAF1 P04049 1/20 0.39

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
SCHEMBL3107632 1.00 PDPK1 (0.47) PDPK1CNR1CNR2MAPK14KDM4E
SCHEMBL3119142 1.00 PDPK1 (0.47) PDPK1CNR1CNR2MAPK14KDM4E
SCHEMBL3122794 0.84 KDR (0.56) CNR1CNR2KDRCITMAP3K7
SCHEMBL3121697 0.84 KDR (0.56) CNR1CNR2KDRCITMAP3K7
SCHEMBL3106569 0.84 KDR (0.56) CNR1CNR2KDRCITMAP3K7
SCHEMBL3110860 0.73 DHODH (0.50) PDPK1ALDH1A1KDR
SCHEMBL3108907 0.73 RAB9A (0.49) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL3108915 0.73 RAB9A (0.49) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL3115088 0.73 RAB9A (0.49) CNR1CNR2KDM4EALDH1A1GAA
SCHEMBL31362683 0.71 KDR (0.67) CNR1CNR2KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168948-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-03-31 — — EP claimed
EP-1259487-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-23 — — EP claimed
US-6624174-B2 Especially for treating a neoplastic disease, retinopathy or age-related macular degeneration NOVARTIS AG (CH) 2003-09-23 — — US claimed
EP-2168948-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2014-05-07 — — EP disclosed
EP-2168948-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-03-31 — — EP disclosed
EP-1259487-B1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20080085902-A1 Combination Of A Vegf Receptor Inhibitor Or With A Chemotherapeutic Agent BOLD GUIDO 2008-04-10 — — US disclosed
US-6624174-B2 Especially for treating a neoplastic disease, retinopathy or age-related macular degeneration NOVARTIS AG (CH) 2003-09-23 — — US disclosed
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2003-02-13 — — 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-20080085902-A1 Combination Of A Vegf Receptor Inhibitor Or With A Chemotherapeutic Agent VEGFA, FLT1, FLT4 PDPK1 1135/4885CNR1 324/4885CNR2 332/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 PDPK1 1044/4885CNR1 506/4885CNR2 223/4885

“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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