SCHEMBL12780152

SCHEMBL12780152

CCOc1cc(N2CC[C@H](C)C2)ccc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)NC(C)C)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 9/20 0.64
▸ ALK Q9UM73 10/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ PTK2 Q05397 2/20 0.49
▸ PTK2B Q14289 2/20 0.49
▸ ULK1 O75385 2/20 0.47
▸ INSR P06213 2/20 0.47
▸ FGFR1 P11362 2/20 0.47
▸ FGFR2 P21802 2/20 0.47
▸ FGFR4 P22455 2/20 0.47
▸ FGFR3 P22607 2/20 0.47
▸ BMPR1B O00238 1/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ STK25 O00506 1/20 0.47
▸ RIOK3 O14730 1/20 0.47
▸ CHEK1 O14757 1/20 0.47
▸ CASK O14936 1/20 0.47
▸ AURKA O14965 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ DCLK1 O15075 1/20 0.47

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
SCHEMBL12729029 0.92 ZAP70 (0.75) ZAP70ALKIGF1RPTK2PTK2B
SCHEMBL12780537 0.91 ZAP70 (0.60) ZAP70ALKIGF1RPTK2PTK2B
SCHEMBL12780260 0.84 ZAP70 (0.58) ZAP70ALKIGF1RPTK2PTK2B
SCHEMBL12892825 0.84 ZAP70 (0.64) ZAP70ALKIGF1RULK1INSR
SCHEMBL12892823 0.84 ZAP70 (0.64) ZAP70ALKIGF1RULK1INSR
SCHEMBL12729038 0.83 ZAP70 (0.70) ZAP70ALKIGF1RPTK2PTK2B
SCHEMBL12729045 0.83 ZAP70 (0.70) ZAP70ALKIGF1RPTK2PTK2B
SCHEMBL12781639 0.83 ZAP70 (0.88) ZAP70ALKIGF1RINSRAURKA
SCHEMBL12781141 0.83 ZAP70 (0.91) ZAP70ALKIGF1RPTK2PTK2B
SCHEMBL12780577 0.83 ZAP70 (0.64) ZAP70ALKIGF1RULK1INSR

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-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

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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD ZAP70 341/4885ALK 3384/4885IGF1R 4627/4885

“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