SCHEMBL3959568

SCHEMBL3959568

NC(=O)c1cnccc1Nc1cnc2ccncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.43
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CSF1R P07333 2/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 2/20 0.39
TGFBR2 P37173 1/20 0.38
MAPK8 P45983 1/20 0.38
SYK P43405 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL2713225 0.90 RAB9A (0.53) TGFBR1MAPK9MAPK10NPC1RAB9A
SCHEMBL2717397 0.81 MAPK9 (0.51) TGFBR1MAPK9MAPK10SIRT3TDP1
SCHEMBL2717012 0.81 MAPK9 (0.51) MAPK9MAPK10SIRT3TDP1SIRT2
SCHEMBL3959565 0.81 RAB9A (0.54) NPC1RAB9AALDH1A1SMN1; SMN2DHODH
SCHEMBL2716640 0.81 SYK (0.58) TGFBR1MAPK9MAPK10NPC1RAB9A
SCHEMBL2715880 0.76 MAPK9 (0.49) TGFBR1MAPK9MAPK10SIRT3IRAK4
SCHEMBL479807 0.76 SIRT2 (0.54) SIRT3TDP1ALDH1A1CSF1RIRAK4
SCHEMBL2714846 0.75 SIRT2 (0.53) TGFBR1SIRT3TDP1NPC1RAB9A
SCHEMBL5078983 0.73 SIRT3 (0.54) TGFBR1SIRT3TDP1NPC1RAB9A
SCHEMBL28283004 0.73 MAPK8 (0.57) MAPK9CSF1RFLT1KDRIRAK4

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 TGFBR1 422/4885MAPK9 2582/4885MAPK10 3020/4885

“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.