SCHEMBL12781068

SCHEMBL12781068

CCOc1cc(N2CCC(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NCC2CC2)n1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 10/20 0.71
▸ ALK Q9UM73 7/20 0.56
▸ INSR P06213 3/20 0.54
▸ IGF1R P08069 3/20 0.54
▸ EGFR P00533 2/20 0.54
▸ MAPK8 P45983 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ PTK2 Q05397 1/20 0.53

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
SCHEMBL12780147 0.93 ZAP70 (0.69) ZAP70ALKINSRIGF1REGFR
SCHEMBL12781151 0.92 ZAP70 (0.75) ZAP70ALKINSRIGF1REGFR
SCHEMBL14981304 0.91 ZAP70 (0.61) ZAP70ALKINSRIGF1REGFR
SCHEMBL12862487 0.90 ZAP70 (0.77) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780203 0.90 ZAP70 (0.72) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780492 0.89 ZAP70 (0.71) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780497 0.88 ZAP70 (0.74) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780077 0.88 ZAP70 (0.74) ZAP70ALKINSRIGF1REGFR
SCHEMBL12781668 0.88 ZAP70 (0.91) ZAP70ALKINSRIGF1REGFR
SCHEMBL10209551 0.88 ZAP70 (0.61) ZAP70ALKINSRIGF1REGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287156-B1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-05-29 — — EP disclosed
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 ZAP70 341/4885ALK 3384/4885INSR 3201/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD ZAP70 302/4885ALK 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.

Send feedback