SCHEMBL12892936

SCHEMBL12892936

CCCNC(=O)c1ccccc1Nc1nc(Nc2cc(OC)ccc2OC)ncc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 2/20 0.54
▸ IGF1R P08069 3/20 0.52
▸ ULK1 O75385 2/20 0.52
▸ PTK2 Q05397 3/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ EGFR P00533 3/20 0.49
▸ MAPK8 P45983 4/20 0.48
▸ ALK Q9UM73 3/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ MAPK9 P45984 2/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ AURKA O14965 1/20 0.46

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
SCHEMBL12780201 0.93 ZAP70 (0.56) ZAP70IGF1RULK1PTK2MAPK1
SCHEMBL12780183 0.84 IGF1R (0.54) ZAP70IGF1RULK1PTK2MAPK1
SCHEMBL12781575 0.82 ZAP70 (0.56) ZAP70IGF1RULK1PTK2MAPK1
SCHEMBL12780613 0.82 MAPK9 (0.58) IGF1RULK1PTK2MAPK1EGFR
SCHEMBL12780619 0.82 ZAP70 (0.69) ZAP70IGF1RULK1PTK2MAPK1
SCHEMBL17547457 0.80 ULK1 (0.64) ZAP70IGF1RULK1PTK2MAPK1
SCHEMBL1707698 0.80 PTK2 (0.64) ZAP70IGF1RULK1PTK2MAPK1
SCHEMBL12780187 0.79 ULK1 (0.58) IGF1RULK1PTK2MAPK1EGFR
SCHEMBL12892938 0.78 ULK1 (0.58) IGF1RULK1PTK2MAPK1KDM4E
SCHEMBL12780617 0.76 ZAP70 (0.68) ZAP70IGF1RULK1PTK2MAPK1

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 4 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-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 (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 ZAP70 302/4885IGF1R 4633/4885ULK1 2458/4885

“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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