SCHEMBL3961761

SCHEMBL3961761

Cc1nc2cc(NC(=O)c3cccnc3Nc3ccc4cn[nH]c4c3)ccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.63
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
RXFP1 Q9HBX9 1/20 0.48
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CFTR P13569 1/20 0.44
SYK P43405 3/20 0.43
MAP4K4 O95819 3/20 0.43
CLK2 P49760 3/20 0.43
DYRK1A Q13627 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
DAPK3 O43293 2/20 0.43
PRKD3 O94806 2/20 0.43
PAK4 O96013 2/20 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
SCHEMBL3951152 0.85 RAB9A (0.49) KDRRAB9ANPC1SMN1; SMN2RXFP1
SCHEMBL3957717 0.85 RAB9A (0.50) KDRRAB9ANPC1SMN1; SMN2RXFP1
SCHEMBL3903732 0.81 KDR (0.73) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3891347 0.80 KDR (0.75) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13867806 0.80 KDR (0.67) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL187444 0.80 KDR (0.72) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13867812 0.80 KDR (0.64) KDRRAB9ANPC1SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL3896569 0.80 KDR (0.74) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL13867837 0.80 KDR (0.80) KDRRAB9ANPC1SMN1; SMN2HPGD
SCHEMBL3891696 0.79 KDR (0.66) KDRRAB9ANPC1SMN1; SMN2HPGD

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-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7507748-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-03-24 US disclosed
US-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases AMGEN INC. 2006-02-23 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-20060040966-A1 e.g. 2-(7-isoquinolinylamino)-N-(3-methyl-4-(1-methylethyl)phenyl)-3-pyridinecarboxamide; Vascular Endothelial Growth Factor antagonist; angiogenesis inhibitor; anticarcinogenic, antiinflammatory inhibitor; retinopathies, rheumatoid arthritis, asthma, atherosclerosis, endometriosis, neoplastic diseases EDNRA, PTGIS, EDNRB KDR 4/4885RAB9A 1420/4885NPC1 2638/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 KDR 4/4885RAB9A 2278/4885NPC1 842/4885

“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.