SCHEMBL12781758

SCHEMBL12781758

CCOc1cc(N2CCC(N3CCCC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 17/20 0.78
INSR P06213 7/20 0.78
IGF1R P08069 6/20 0.78
EGFR P00533 3/20 0.78
PTK2 Q05397 3/20 0.78
FGFR1 P11362 2/20 0.78
FGFR2 P21802 2/20 0.78
FGFR4 P22455 2/20 0.78
FGFR3 P22607 2/20 0.78
ZAP70 P43403 2/20 0.78
BMPR1B O00238 2/20 0.78
PLK4 O00444 2/20 0.78
GAK O14976 2/20 0.78
ERN1 O75460 2/20 0.78
STK10 O94804 2/20 0.78
ABL1 P00519 2/20 0.78
LCK P06239 2/20 0.78
FYN P06241 2/20 0.78
FES P07332 2/20 0.78
YES1 P07947 2/20 0.78

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
SCHEMBL12892763 0.99 ALK (0.77) ALKINSRIGF1REGFRPTK2
SCHEMBL12781735 0.94 ALK (0.88) ALKINSRIGF1REGFRPTK2
SCHEMBL12780141 0.94 ALK (0.88) ALKINSRIGF1REGFRPTK2
SCHEMBL1912035 0.93 ALK (0.76) ALKINSRIGF1REGFRPTK2
SCHEMBL14981305 0.93 ALK (0.74) ALKINSRIGF1REGFRPTK2
SCHEMBL12780112 0.92 ALK (0.88) ALKINSRIGF1REGFRPTK2
SCHEMBL12892759 0.92 ZAP70 (0.69) ALKINSRIGF1REGFRPTK2
SCHEMBL12780642 0.91 ALK (0.73) ALKINSRIGF1REGFRPTK2
SCHEMBL12780264 0.90 ALK (0.78) ALKINSRIGF1REGFRPTK2
SCHEMBL12892761 0.90 EGFR (0.68) ALKINSRIGF1REGFRPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 US disclosed
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-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
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 (2 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ALK 3384/4885INSR 3201/4885IGF1R 4627/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ALK 3200/4885INSR 2899/4885IGF1R 4633/4885

“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.