SCHEMBL5577053

SCHEMBL5577053

O=C(OCc1ccccc1)c1ccc(Nc2cc(N[C@@H]3CCC[C@@H]3C(=O)O)c(C(F)(F)F)cn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 4/20 0.40
▸ MAPK10 P53779 4/20 0.40
▸ GLO1 Q04760 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ JAK3 P52333 3/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ HCRTR1 O43613 2/20 0.37
▸ PTK2 Q05397 2/20 0.36
▸ PTK2B Q14289 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL2520165 0.84 PTK2 (0.54) GLO1JAK3PTK2PTK2B
SCHEMBL13808077 0.78 PTK2 (0.56) GLO1FAAHEPHX2JAK3PTK2
SCHEMBL2524824 0.76 PTK2 (0.51) GLO1JAK3PTK2PTK2B
SCHEMBL2524822 0.76 PTK2 (0.51) GLO1JAK3PTK2PTK2B
SCHEMBL12236283 0.70 PTK2 (0.56) JAK3PTK2PTK2B
SCHEMBL2523864 0.69 GLO1 (0.54) GLO1JAK3RAB9AKMT2AGAA
SCHEMBL1467078 0.67 LRRK2 (0.51) PTK2
SCHEMBL579387 0.66 MAPK9 (0.44) MAPK9MAPK10JAK3PTK2PTK2B
SCHEMBL30002940 0.65 GSK3A (0.51) GLO1JAK3KMT2AIRAK4PTK2
SCHEMBL17307582 0.65 HCAR3 (0.59) RAB9AKMT2AGAANPC1ALDH1A1

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-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 — — 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-20070032514-A1 2,4-diamino-pyrimidines as aurora inhibitors AURKA, AURKC, AURKB MAPK9 704/4885MAPK10 1404/4885GLO1 4680/4885

“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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