SCHEMBL12780204

SCHEMBL12780204

CCNC(=O)c1ccccc1Nc1nc(Nc2cc(OCC)c(N3CCOCC3)cc2OCC)ncc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 3/20 0.60
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 3/20 0.49
▸ PTK2 Q05397 3/20 0.49
▸ MAPK8 P45983 3/20 0.49
▸ MAPK9 P45984 3/20 0.49
▸ MAPK10 P53779 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ FLT3 P36888 2/20 0.49
▸ BTK Q06187 2/20 0.49
▸ EGFR P00533 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ INSR P06213 2/20 0.49
▸ IGF1R P08069 2/20 0.49
▸ PTK2B Q14289 2/20 0.49
▸ CDC7 O00311 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
SCHEMBL12892938 0.94 ULK1 (0.58) ULK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12780618 0.91 MAPK9 (0.61) ULK1MEN1KMT2APTK2MAPK8
SCHEMBL12780337 0.83 ULK1 (0.60) ULK1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12780163 0.82 ULK1 (0.69) ULK1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL12781584 0.80 ULK1 (0.58) ULK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12780187 0.80 ULK1 (0.58) ULK1PTK2MAPK8MAPK9MAPK10
SCHEMBL12780194 0.79 ULK1 (0.57) ULK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL12729354 0.77 ULK1 (0.67) ULK1ALDH1A1MAPTPTK2MAPK8
SCHEMBL12780201 0.77 ZAP70 (0.56) ULK1ALDH1A1L3MBTL1MAPTPTK2
SCHEMBL12780183 0.77 IGF1R (0.54) ULK1PTK2MAPK8MAPK9MAPK10

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 ULK1 2595/4885MEN1 4147/4885KMT2A 1801/4885

“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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