SCHEMBL12917664

SCHEMBL12917664

CCNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCCC3)nc2C)ncc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 2/20 0.53
▸ INSR P06213 5/20 0.51
▸ EGFR P00533 4/20 0.51
▸ PTK2 Q05397 3/20 0.51
▸ MAPK8 P45983 2/20 0.51
▸ MAPK9 P45984 2/20 0.51
▸ MAPK10 P53779 2/20 0.51
▸ IGF1R P08069 2/20 0.51
▸ PTK2B Q14289 2/20 0.51
▸ PKMYT1 Q99640 1/20 0.51
▸ ZAP70 P43403 1/20 0.51
▸ SLC2A1 P11166 1/20 0.50
▸ ALK Q9UM73 6/20 0.49
▸ MET P08581 6/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CDC7 O00311 1/20 0.49
▸ PLK4 O00444 1/20 0.49
▸ CHEK1 O14757 1/20 0.49
▸ AURKA O14965 1/20 0.49
▸ DCLK1 O15075 1/20 0.49

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
SCHEMBL12729763 0.93 PTK2 (0.61) ULK1INSREGFRPTK2MAPK8
SCHEMBL12729784 0.92 INSR (0.52) ULK1INSREGFRPTK2MAPK8
SCHEMBL12729786 0.90 ALK (0.57) ULK1INSREGFRPTK2MAPK8
SCHEMBL12729791 0.87 EGFR (0.54) ULK1INSREGFRPTK2MAPK8
SCHEMBL12729789 0.87 EGFR (0.54) ULK1INSREGFRPTK2MAPK8
SCHEMBL12780401 0.84 PLK1 (0.47) INSREGFRPTK2IGF1RPKMYT1
SCHEMBL1911938 0.83 ALK (0.64) INSREGFRPTK2MAPK8MAPK9
SCHEMBL12780190 0.82 EGFR (0.48) INSREGFRPTK2IGF1RPKMYT1
SCHEMBL1912045 0.80 MAPK9 (0.72) ULK1INSREGFRPTK2MAPK8
SCHEMBL12780208 0.79 ALK (0.46) INSREGFRPTK2MAPK8MAPK9

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 2458/4885INSR 2899/4885EGFR 2285/4885

“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