SCHEMBL3959565

SCHEMBL3959565

NC(=O)c1cccnc1Nc1cnc2ccncc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 6/20 0.54
AHR P35869 1/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
KCNH2 Q12809 1/20 0.50
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.46
SYK P43405 3/20 0.45
DHODH Q02127 3/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL2713224 0.88 RAB9A (0.56) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL2717394 0.84 RAB9A (0.59) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL2717010 0.84 MAPT (0.59) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL3959568 0.81 TGFBR1 (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1HTT
SCHEMBL3951467 0.81 TRPV1 (0.51) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL2716637 0.80 NPC1 (0.63) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29421237 0.79 MAPT (0.65) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL2714517 0.79 MAPT (0.65) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL29421217 0.79 RAB9A (0.73) RAB9AMAPTSMN1; SMN2NPC1AHR
SCHEMBL3958525 0.77 KDR (0.48) RAB9AMAPTSMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 RAB9A 1420/4885MAPT 4549/4885SMN1; SMN2 4368/4885

“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.