SCHEMBL12918397

SCHEMBL12918397

CCOc1cc(CCN(C)CCN(C)CC)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 4/20 0.56
▸ AURKA O14965 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ ALK Q9UM73 16/20 0.56
▸ INSR P06213 11/20 0.56
▸ IGF1R P08069 1/20 0.53
▸ NEK2 P51955 1/20 0.53
▸ EGFR P00533 1/20 0.50
▸ EML4 Q9HC35 1/20 0.50

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
SCHEMBL12780524 0.86 AXL (0.68) AXLAURKAAURKBALKINSR
SCHEMBL1912103 0.81 ALK (0.73) ALKINSREGFR
SCHEMBL10208645 0.81 ALK (0.68) AXLAURKAAURKBALKINSR
SCHEMBL12780345 0.79 ZAP70 (0.71) AXLAURKAAURKBALKINSR
SCHEMBL12892726 0.78 ALK (0.63) AXLAURKAAURKBALKINSR
SCHEMBL14175086 0.77 ALK (0.67) AXLALKINSRIGF1RNEK2
SCHEMBL12892824 0.77 ALK (0.66) AXLALKINSRIGF1RNEK2
SCHEMBL12729035 0.76 ALK (0.66) AXLALKINSRIGF1RNEK2
SCHEMBL1912059 0.76 ALK (0.66) AXLALKINSRIGF1RNEK2
SCHEMBL1912106 0.76 ALK (0.63) AXLAURKAAURKBALKINSR

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 AXL 1754/4885AURKA 1251/4885AURKB 743/4885

“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.

Send feedback