SCHEMBL3106569

SCHEMBL3106569

CC(C)(C)C1CCC(NC(=O)c2cccnc2NCc2ccncc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 17/20 0.56
▸ RET P07949 2/20 0.51
▸ MAP3K20 Q9NYL2 2/20 0.51
▸ RIPK3 Q9Y572 2/20 0.51
▸ CIT O14578 1/20 0.51
▸ MAP3K7 O43318 1/20 0.51
▸ RIPK2 O43353 1/20 0.51
▸ STK10 O94804 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ ABL1 P00519 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ YES1 P07947 1/20 0.51
▸ LYN P07948 1/20 0.51
▸ HCK P08631 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ FGR P09769 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
SCHEMBL3122794 1.00 KDR (0.56) KDRRETMAP3K20RIPK3CIT
SCHEMBL3121697 1.00 KDR (0.56) KDRRETMAP3K20RIPK3CIT
SCHEMBL31362683 0.87 KDR (0.67) KDRCNR1CNR2
SCHEMBL3119142 0.84 PDPK1 (0.47) KDRRETMAP3K20RIPK3CIT
SCHEMBL3107624 0.84 PDPK1 (0.47) KDRRETMAP3K20RIPK3CIT
SCHEMBL3107632 0.84 PDPK1 (0.47) KDRRETMAP3K20RIPK3CIT
SCHEMBL6223588 0.81 KDR (0.58) KDRRETMAP3K20RIPK3CIT
Hydrochloric Acid SCHEMBL449596 0.81 KDR (0.57) KDRRETMAP3K20RIPK3CIT
SCHEMBL3122776 0.77 RAB9A (0.43) CNR1CNR2
SCHEMBL3121702 0.77 RAB9A (0.43) CNR1CNR2

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 10 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
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2003-02-13 — — 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 KDR 4/4885RET 64/4885MAP3K20 577/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 KDR 1/4885RET 19/4885MAP3K20 236/4885

“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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