SCHEMBL3071869

SCHEMBL3071869

NCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.77
CYP2D6 P10635 7/20 0.77
CYP1A2 P05177 5/20 0.77
CYP3A4 P08684 3/20 0.77
CYP2C9 P11712 2/20 0.77
CYP2C19 P33261 2/20 0.77
KDM4E B2RXH2 1/20 0.77
NPC1 O15118 1/20 0.77
GMNN O75496 1/20 0.77
ALDH1A1 P00352 1/20 0.77
LMNA P02545 1/20 0.77
TP53 P04637 1/20 0.77
MAPT P10636 1/20 0.77
HPGD P15428 1/20 0.77
ALOX15 P16050 1/20 0.77
NFKB1 P19838 1/20 0.77
MAPK1 P28482 1/20 0.77
RAB9A P51151 1/20 0.77
BLM P54132 1/20 0.77
GFER P55789 1/20 0.77

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
SCHEMBL7744416 0.88 PDE5A (0.62) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL29352550 0.87 PDE5A (1.00) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL10252544 0.87 PDE5A (0.77) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL187837 0.87 PDE5A (1.00) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL5004337 0.85 PDE5A (0.82) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL24777457 0.84 PDE5A (0.72) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL4849350 0.84 PDE5A (1.00) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL14290111 0.84 PDE5A (0.72) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL13199036 0.82 PDE5A (0.69) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL7492367 0.82 PDE5A (1.00) PDE5ACYP2D6CYP1A2CYP3A4CYP2C9

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1842332-A Compounds, compositions and methods HIF BIO INC (US) 2006-10-04 CN claimed
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP claimed
US-20050187276-A1 Compounds, compositions and methods BIZBIOTECH CO., LTD. (KR) 2005-08-25 US claimed
WO-2005030121-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO, INC. (US) 2005-04-07 WO claimed
US-20030171403-A1 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2003-09-11 US claimed
US-7790761-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2010-09-07 US disclosed
US-7226941-B2 Compound for treating angiogenesis HIF BIO, INC. (US) 2007-06-05 US disclosed
CN-1842332-A Compounds, compositions and methods HIF BIO INC (US) 2006-10-04 CN disclosed
EP-1686127-A1 New heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases Bayer HealthCare AG (DE) 2006-08-02 EP disclosed
US-20060100248-A1 Blockade of voltage dependent sodium channels GARTHWAITE GITI 2006-05-11 US disclosed
EP-1646382-A2 COMPOUNDS, COMPOSITIONS AND METHODS HIF BIO INC. (US) 2006-04-19 EP disclosed
US-7009056-B2 Blockade of voltage dependent sodium channels UNIVERSITY COLLEGE LONDON (GB) 2006-03-07 US disclosed
US-6462068-B1 CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
US-6414009-B1 CARDIOVASCULAR DISORDERS; ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-6410740-B1 CYCLIZATION OF THE CORRESPONDING AMIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-06-25 US disclosed
US-6387942-B2 PYRAZOLYL COMPOUND; ANTICOAGULANTS, ANTIPROLIFERATIVE AGENT YUNG SHIN PHARMACEUTICAL IND. CO. LTD (TW) 2002-05-14 US disclosed
US-6387940-B1 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation YUNG SHIN PHARMACEUTICAL IND. CO., LTD. (TW) 2002-01-10 US disclosed
EP-1166785-A1 Use of pyrazole derivatives for inhibiting thrombin-induced platelet aggregation Yung Shin Pharmeutical Ind. Co., Ltd. (TW) 2002-01-02 EP disclosed
US-6166027-A Heterocyclylmethyl-substituted pyrazole derivatives and their use for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2000-12-26 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 (4 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-20030171403-A1 Blockade of voltage dependent sodium channels CACNA1F, SCNN1B, CACNA1B PDE5A 255/4885CYP2D6 3055/4885CYP1A2 2320/4885
US-20060100248-A1 Blockade of voltage dependent sodium channels CACNA1I, CACNA1F, CACNA1C PDE5A 250/4885CYP2D6 3045/4885CYP1A2 2317/4885
US-20050187276-A1 Compounds, compositions and methods HIF1A, HIF1AN, EGLN3 PDE5A 1987/4885CYP2D6 3521/4885CYP1A2 2118/4885
US-20020004518-A1 Method of treating disorders related to protease-activated receptors-induced cell activation F2R, HPN, F2RL1 PDE5A 3372/4885CYP2D6 2836/4885CYP1A2 1533/4885

“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.