SCHEMBL674111

SCHEMBL674111

O=C1NCc2ncncc2N1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MB P02144 1/20 0.37
BIRC2 Q13490 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPK1 P28482 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL30978396 0.80
SCHEMBL15386171 0.73 BCL6 (0.40) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL29246512 0.72 NPC1 (0.37) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL31752325 0.72 NPC1 (0.37) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL673377 0.72 CYP11B1 (0.42) CYP11B1CYP11B2MBBIRC2PDE3B
SCHEMBL7419264 0.71 BIRC2 (0.37) CYP11B1CYP11B2MBBIRC2PDE3B
SCHEMBL4791581 0.70 MKNK2 (0.30) MKNK2
SCHEMBL1270310 0.70 MB (0.56) CYP11B1CYP11B2MBPDE3BPDE3A
SCHEMBL29547390 0.70 MB (0.56) CYP11B1CYP11B2MBPDE3BPDE3A
SCHEMBL7358073 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736210-A Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2024-03-22 CN disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed
US-20150190504-A1 WOUND HEALING KINETIC CONCEPTS, INC. 2015-07-09 US disclosed
US-8957076-B2 Wound healing SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2015-02-17 US disclosed
US-8063052-B2 Wound healing SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2011-11-22 US disclosed
US-20100099622-A1 WOUND HEALING SYSTAGENIX WOUND MANAGEMENT (US), INC. (US) 2010-04-22 US disclosed
US-20090170910-A1 WOUND HEALING KCI USA, INC. 2009-07-02 US disclosed
EP-1786409-A1 WOUND HEALING ETHICON, INC. (US) 2007-05-23 EP disclosed
WO-2006028836-A1 WOUND HEALING ETHICON, INC. (US) 2006-03-16 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 (3 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-20100099622-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP11B1 2444/4885CYP11B2 2642/4885MB 2719/4885
US-20090170910-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP11B1 2444/4885CYP11B2 2642/4885MB 2719/4885
US-20150190504-A1 WOUND HEALING MAPK1, MAPK3, MAPK4 CYP11B1 2444/4885CYP11B2 2642/4885MB 2719/4885

“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.