SCHEMBL12781507

SCHEMBL12781507

CCC(CC)NS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(O[C@H]3CCN(C)C3)cc2OC)ncc1I

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 10/20 0.59
▸ ALK Q9UM73 6/20 0.56
▸ INSR P06213 4/20 0.56
▸ IGF1R P08069 4/20 0.56
▸ TTK P33981 3/20 0.46
▸ AURKA O14965 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CDK6 Q00534 1/20 0.45
▸ ROS1 P08922 3/20 0.44
▸ ULK1 O75385 2/20 0.44
▸ EGFR P00533 2/20 0.44
▸ BMPR1B O00238 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ STK25 O00506 1/20 0.44
▸ RIOK3 O14730 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ CASK O14936 1/20 0.44

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
SCHEMBL12781893 1.00 ZAP70 (0.59) ZAP70ALKINSRIGF1RTTK
SCHEMBL12780327 0.95 ZAP70 (0.53) ZAP70ALKINSRIGF1RTTK
SCHEMBL12780329 0.95 ZAP70 (0.53) ZAP70ALKINSRIGF1RTTK
SCHEMBL12729407 0.92 ZAP70 (0.70) ZAP70ALKINSRIGF1RTTK
SCHEMBL12729423 0.92 ZAP70 (0.70) ZAP70ALKINSRIGF1RTTK
SCHEMBL12780272 0.90 ZAP70 (0.61) ZAP70ALKINSRIGF1RTTK
SCHEMBL12918013 0.90 ZAP70 (0.61) ZAP70ALKINSRIGF1RTTK
SCHEMBL12780539 0.89 ZAP70 (0.61) ZAP70ALKINSRIGF1RTTK
SCHEMBL12780279 0.89 ZAP70 (0.61) ZAP70ALKINSRIGF1RTTK
SCHEMBL12781781 0.89 INSR (0.58) ZAP70ALKINSRIGF1RTTK

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 3 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-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.

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