SCHEMBL12780297

SCHEMBL12780297

CCOc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1ncc(I)c(Nc2ccccc2S(=O)(=O)NC2CCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.51
▸ MAPK7 Q13164 2/20 0.51
▸ LRRK2 Q5S007 13/20 0.50
▸ DCLK1 O15075 2/20 0.50
▸ BRDT Q58F21 2/20 0.50
▸ ZAP70 P43403 1/20 0.49
▸ TTK P33981 1/20 0.47
▸ ROS1 P08922 1/20 0.47
▸ ALK Q9UM73 1/20 0.47
▸ NUAK1 O60285 1/20 0.45
▸ IGF1R P08069 2/20 0.44

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
SCHEMBL10208739 0.92 ZAP70 (0.59) BRD4MAPK7LRRK2ZAP70ROS1
SCHEMBL12917680 0.91 LRRK2 (0.52) BRD4MAPK7LRRK2DCLK1BRDT
SCHEMBL12917681 0.85 LRRK2 (0.55) LRRK2DCLK1ZAP70TTKROS1
SCHEMBL12918023 0.84 MAPK7 (0.55) BRD4MAPK7LRRK2DCLK1BRDT
SCHEMBL12781754 0.84 ALK (0.51) BRD4ZAP70TTKALKIGF1R
SCHEMBL12780160 0.84 ALK (0.51) BRD4ZAP70TTKALKIGF1R
SCHEMBL12917662 0.83 LRRK2 (0.64) LRRK2TTK
SCHEMBL12780185 0.82 LRRK2 (0.57) LRRK2TTK
SCHEMBL10208085 0.82 LRRK2 (0.62) BRD4MAPK7LRRK2DCLK1ZAP70
SCHEMBL12780106 0.81 ZAP70 (0.62) LRRK2ZAP70ROS1ALKIGF1R

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 1 patent. 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

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 BRD4 1634/4885MAPK7 2137/4885LRRK2 3211/4885

“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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