SCHEMBL5597800

SCHEMBL5597800

Cc1cc2c(nc(N)n2N)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL6643409 0.77 NOS2 (0.41) NOS2SMN1; SMN2ALDH1A1LMNATLR8
SCHEMBL13135748 0.68 KDM4E (0.40) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1
SCHEMBL23459661 0.66 NOS2 (0.34) NOS2
SCHEMBL14957483 0.64 KDM4E (0.33) SMN1; SMN2ALDH1A1
SCHEMBL5370813 0.63 LIMK1 (0.38) SMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL28827176 0.61 SMN1; SMN2 (0.33) SMN1; SMN2L3MBTL1ALDH1A1LMNATDP1
SCHEMBL28566639 0.61 CLK4 (0.42) NOS2SMN1; SMN2ALDH1A1LMNATLR8
SCHEMBL23459658 0.61 RPS6KA3 (0.38) L3MBTL1ALDH1A1HTT
SCHEMBL27899640 0.60 SLC9A1 (0.36) SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL4978700 0.58 CLK4 (0.42) TLR8

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
WO-2007011285-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 — — WO disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 — — EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 — — 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 (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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR NOS2 373/4885SMN1; SMN2 3839/4885L3MBTL1 2927/4885

“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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