SCHEMBL12729286

SCHEMBL12729286

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.57
▸ MAPK7 Q13164 3/20 0.55
▸ BRD4 O60885 2/20 0.55
▸ EGFR P00533 4/20 0.53
▸ ALK Q9UM73 3/20 0.52
▸ INSR P06213 2/20 0.52
▸ IGF1R P08069 2/20 0.52
▸ DCLK1 O15075 1/20 0.52
▸ BRDT Q58F21 1/20 0.52
▸ PTK2 Q05397 1/20 0.50

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
SCHEMBL10207529 0.94 LRRK2 (0.65) LRRK2MAPK7EGFRALKINSR
SCHEMBL12918023 0.92 MAPK7 (0.55) LRRK2MAPK7BRD4DCLK1BRDT
SCHEMBL12729305 0.91 ALK (0.61) LRRK2MAPK7EGFRALKINSR
SCHEMBL12892761 0.88 EGFR (0.68) LRRK2MAPK7EGFRALKINSR
SCHEMBL10208085 0.88 LRRK2 (0.62) LRRK2MAPK7BRD4EGFRALK
SCHEMBL1912025 0.88 LRRK2 (0.75) LRRK2
SCHEMBL12918404 0.86 MAPK7 (0.57) LRRK2MAPK7BRD4EGFRDCLK1
SCHEMBL12729189 0.86 LRRK2 (0.66) LRRK2MAPK7EGFRALKIGF1R
SCHEMBL10208739 0.84 ZAP70 (0.59) LRRK2MAPK7BRD4ALKINSR
SCHEMBL12892758 0.82 ZAP70 (0.69) LRRK2MAPK7EGFRALKINSR

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-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-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 LRRK2 3211/4885MAPK7 2137/4885BRD4 1634/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD LRRK2 3157/4885MAPK7 2337/4885BRD4 1523/4885

“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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