SCHEMBL17476958

SCHEMBL17476958

COc1ccc(-c2nc3c(c(N4CCc5ccc(OCC(=O)N(C)C)cc54)n2)CS(=O)(=O)C3)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PDE4B Q07343 2/20 0.33
▸ TSHR P16473 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ ACSS2 Q9NR19 1/20 0.31

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
SCHEMBL17476961 0.92 CFTR (0.33) POLBALDH1A1KDM4ETP53HPGD
SCHEMBL17477015 0.91 PDE4B (0.39) POLBALDH1A1LMNAHTTPDE4B
SCHEMBL17476982 0.86 POLB (0.32) POLBALDH1A1KDM4ETP53HPGD
SCHEMBL17477017 0.86 PDE4B (0.39) POLBALDH1A1LMNAHTTPDE4B
SCHEMBL16179402 0.85 PDE4B (0.38) ALDH1A1LMNAHTTPDE4BCYP3A4
SCHEMBL17477025 0.84 PDE4B (0.44) PDE4BPIK3CAMTOR
SCHEMBL17476893 0.84 S1PR1 (0.36) ALDH1A1LMNAHTTPDE4BPIK3CA
SCHEMBL17476983 0.84 PDE4B (0.35) POLBALDH1A1LMNAHTTPDE4B
SCHEMBL17476949 0.83 ALDH1A1 (0.33) POLBALDH1A1LMNAHTTPDE4B
SCHEMBL17476913 0.83 GRIN2B (0.34) POLBALDH1A1LMNAHTTPDE4B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2986600-B1 SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-05 — — EP disclosed
US-9527832-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2016-12-27 — — US disclosed
US-20160031857-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-02-04 — — 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-20160031857-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS TYMP, PDE4A, DPYD POLB 50/4885ALDH1A1 507/4885LMNA 2348/4885

“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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