SCHEMBL3108907

SCHEMBL3108907

CC(C)(C)[C@H]1CC[C@@H](NC(=O)c2cccnc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
P2RX7 Q99572 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD11B1 P28845 1/20 0.45
ANO1 Q5XXA6 1/20 0.45
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.43
EGFR P00533 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3115088 1.00 RAB9A (0.49) RAB9AALDH1A1KDM4EGAAP2RX7
SCHEMBL3108915 1.00 RAB9A (0.49) RAB9AALDH1A1KDM4EGAAP2RX7
SCHEMBL31583752 0.89 P2RX7 (0.58) RAB9AALDH1A1KDM4EGAAP2RX7
SCHEMBL27842745 0.87 ALDH1A1 (0.48) RAB9AALDH1A1KDM4EGAAP2RX7
SCHEMBL13929047 0.84 POLB (0.50) RAB9AALDH1A1KDM4EGAAP2RX7
SCHEMBL4180056 0.84 POLB (0.50) RAB9AALDH1A1KDM4EGAAP2RX7
SCHEMBL16455932 0.82 TNKS (0.53) RAB9AALDH1A1KDM4EGAAMEN1
SCHEMBL3165964 0.82 ALDH1A1 (0.68) RAB9AALDH1A1KDM4EGAAMEN1
SCHEMBL6063992 0.82 P2RX7 (0.54) RAB9AALDH1A1KDM4EGAAP2RX7
SCHEMBL5438315 0.80 EGFR (0.44) RAB9AP2RX7CNR1CNR2ANO1

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
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-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 (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-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 RAB9A 2850/4885ALDH1A1 1865/4885KDM4E 3651/4885

“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.