SCHEMBL2020841

SCHEMBL2020841

COc1ccc(Nc2nc(N3CC4CCC3C4)c3cc[nH]c3n2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 3/20 0.42
▸ GALR1 P47211 5/20 0.41
▸ GALR2 O43603 4/20 0.41
▸ TTK P33981 2/20 0.40
▸ JAK1 P23458 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 2/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37

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
SCHEMBL2016368 0.71 PAK4 (0.39) PAK4JAK1JAK2JAK3
SCHEMBL4832445 0.67 BCL6 (0.51) GALR1GALR2
SCHEMBL14547977 0.65 ABCG2 (0.51) PAK4JAK2JAK3PTK2PDPK1
SCHEMBL4829399 0.65 GALR1 (0.49) GALR1GALR2EGFR
SCHEMBL4836523 0.65 BCL6 (0.59) GALR1GALR2
SCHEMBL4832326 0.65 BCL6 (0.59) GALR1GALR2
SCHEMBL4835239 0.65 BCL6 (0.59) GALR1GALR2
SCHEMBL5550438 0.64 BCL6 (0.56) GALR1GALR2
SCHEMBL4835357 0.64 APP (0.59) GALR1GALR2
SCHEMBL4836537 0.64 APP (0.63) GALR1GALR2PTK2

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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 — — US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 — — US disclosed
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 — — EP disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 — — WO 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PAK4 603/4885GALR1 4827/4885GALR2 4834/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PAK4 603/4885GALR1 4827/4885GALR2 4834/4885

“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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