SCHEMBL13465239

SCHEMBL13465239

O=C(NCc1nc2ncccc2[nH]1)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.49
PRMT5 O14744 2/20 0.47
PDE5A O76074 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
PKM P14618 1/20 0.47
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
DAGLA Q9Y4D2 1/20 0.46
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK10 P53779 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNA5 P22460 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL1872957 0.85 HCAR2 (0.69) HCAR2TNKSTNKS2
SCHEMBL8328475 0.83 TNKS (0.46) PRMT5TNKSTNKS2ALDH1A1LMNA
SCHEMBL4454372 0.82 TNKS (0.53) TNKSTNKS2NAMPTALDH1A1LMNA
SCHEMBL1624031 0.82 TNKS (0.50) HCAR2TNKSTNKS2NAMPTLMNA
SCHEMBL23508272 0.81 TNKS (0.46) TNKSTNKS2NAMPTALDH1A1LMNA
SCHEMBL4887144 0.78 RIPK1 (0.47) TNKSTNKS2ALDH1A1LMNASMN1; SMN2
SCHEMBL14355651 0.77 KMT2A (0.49) HCAR2PDE5APKMALDH1A1MAPK10
SCHEMBL6951174 0.77 PRMT5 (0.46) PRMT5PDE5APDE4APDE4BPDE4C
SCHEMBL1624485 0.76 TNKS (0.53) HCAR2TNKSTNKS2NAMPTLMNA
SCHEMBL142186 0.76 PRMT5 (0.44) PRMT5PDE5APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960417-B1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- 1-EN-17 . BETA . -CARBOXAMIDE MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20090048283-A1 Salt of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048283-A1 Salt of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-7365202-B2 Polymorphs of an androgen receptor modulator MERCK & CO., INC. (US) 2008-04-29 US disclosed
WO-2007067490-A1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- l-EN-17 . BETA . -CARBOXAMIDE MERCK & CO., INC. (US) 2007-06-14 WO disclosed
US-20070129548-A1 Polymorphs of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2007-06-07 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 (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-20070129548-A1 Polymorphs of an androgen receptor modulator SHBG, AR, BRCA1 HCAR2 1100/4885PRMT5 1367/4885PDE5A 1194/4885
US-20090048283-A1 Salt of an androgen receptor modulator AR, SHBG, FSHR HCAR2 609/4885PRMT5 2702/4885PDE5A 3166/4885

“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.