SCHEMBL12892811

SCHEMBL12892811

CCOc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Br)c(Nc2ccccc2S(=O)(=O)NC)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.67
ALK Q9UM73 13/20 0.65
INSR P06213 12/20 0.65
IGF1R P08069 12/20 0.65
EGFR P00533 6/20 0.62
ZAP70 P43403 4/20 0.62
FGFR1 P11362 3/20 0.62
FGFR3 P22607 3/20 0.62
PLK4 O00444 3/20 0.62
LCK P06239 3/20 0.62
FYN P06241 3/20 0.62
EPHA2 P29317 3/20 0.62
FLT3 P36888 3/20 0.62
LIMK1 P53667 3/20 0.62
PTK2 Q05397 3/20 0.62
PTK6 Q13882 3/20 0.62
PTK2B Q14289 3/20 0.62
AURKB Q96GD4 3/20 0.62
PRKD2 Q9BZL6 3/20 0.62
SLK Q9H2G2 3/20 0.62

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
SCHEMBL12780074 0.94 ULK1 (0.68) ULK1ALKINSRIGF1REGFR
SCHEMBL1911991 0.93 ULK1 (0.72) ULK1ALKINSRIGF1REGFR
SCHEMBL12781316 0.92 ALK (0.77) ULK1ALKINSRIGF1REGFR
SCHEMBL12780531 0.92 INSR (0.65) ULK1ALKINSRIGF1REGFR
SCHEMBL4094604 0.89 ALK (0.72) ULK1ALKINSRIGF1REGFR
SCHEMBL12729303 0.88 ULK1 (0.67) ULK1ALKINSRIGF1REGFR
SCHEMBL12781002 0.87 ULK1 (0.77) ULK1ALKINSRIGF1REGFR
SCHEMBL282266 0.87 ULK1 (0.84) ULK1ALKINSRIGF1REGFR
SCHEMBL12781155 0.87 ZAP70 (0.74) ULK1ALKIGF1REGFRZAP70
SCHEMBL10207519 0.86 ULK1 (0.76) ULK1ALKINSRIGF1REGFR

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-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 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-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ULK1 2458/4885ALK 3200/4885INSR 2899/4885

“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.