SCHEMBL12918404

SCHEMBL12918404

CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2OC)ncc1I

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 2/20 0.57
▸ LRRK2 Q5S007 15/20 0.56
▸ ZAP70 P43403 2/20 0.52
▸ BRD4 O60885 1/20 0.52
▸ BRDT Q58F21 1/20 0.52
▸ DCLK1 O15075 1/20 0.50
▸ ULK1 O75385 1/20 0.50
▸ EGFR P00533 1/20 0.49

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
SCHEMBL12918023 0.94 MAPK7 (0.55) MAPK7LRRK2ZAP70BRD4BRDT
SCHEMBL12729189 0.92 LRRK2 (0.66) MAPK7LRRK2ZAP70DCLK1ULK1
SCHEMBL10207529 0.92 LRRK2 (0.65) MAPK7LRRK2ZAP70DCLK1ULK1
SCHEMBL12917681 0.89 LRRK2 (0.55) LRRK2ZAP70DCLK1ULK1EGFR
SCHEMBL12729286 0.86 LRRK2 (0.57) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL12917680 0.81 LRRK2 (0.52) MAPK7LRRK2ZAP70BRD4BRDT
SCHEMBL12917662 0.81 LRRK2 (0.64) LRRK2ULK1
SCHEMBL12917967 0.81 EGFR (0.56) MAPK7LRRK2ZAP70DCLK1ULK1
SCHEMBL18018900 0.80 MAPK7 (0.55) MAPK7LRRK2BRD4BRDTDCLK1
SCHEMBL1911954 0.80 LRRK2 (0.65) MAPK7LRRK2ZAP70DCLK1ULK1

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-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 (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 MAPK7 2337/4885LRRK2 3157/4885ZAP70 302/4885

“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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