SCHEMBL12918023

SCHEMBL12918023

CCOc1cc(C(=O)N2CCC(N3CCCCC3)CC2)ccc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)NC)n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK7 Q13164 6/20 0.55
▸ BRD4 O60885 4/20 0.55
▸ LRRK2 Q5S007 15/20 0.52
▸ BRDT Q58F21 2/20 0.52
▸ DCLK1 O15075 1/20 0.52
▸ KCNH2 Q12809 1/20 0.50
▸ ZAP70 P43403 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
SCHEMBL12918404 0.94 MAPK7 (0.57) MAPK7BRD4LRRK2BRDTDCLK1
SCHEMBL12729286 0.92 LRRK2 (0.57) MAPK7BRD4LRRK2BRDTDCLK1
SCHEMBL12917680 0.88 LRRK2 (0.52) MAPK7BRD4LRRK2BRDTDCLK1
SCHEMBL12917662 0.88 LRRK2 (0.64) LRRK2
SCHEMBL10207529 0.86 LRRK2 (0.65) MAPK7LRRK2DCLK1ZAP70
SCHEMBL12729189 0.86 LRRK2 (0.66) MAPK7LRRK2DCLK1ZAP70
SCHEMBL12780297 0.84 BRD4 (0.51) MAPK7BRD4LRRK2BRDTDCLK1
SCHEMBL12729305 0.83 ALK (0.61) MAPK7LRRK2DCLK1ZAP70
SCHEMBL12917681 0.82 LRRK2 (0.55) LRRK2DCLK1ZAP70
SCHEMBL12917967 0.82 EGFR (0.56) MAPK7LRRK2DCLK1ZAP70

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 2337/4885BRD4 1523/4885LRRK2 3157/4885

“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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