SCHEMBL5756515

SCHEMBL5756515

C(=Cc1nc(COc2cccc(CCCn3ccnc3)c2)co1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.45
ATP4B P51164 4/20 0.45
ERBB2 P04626 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HMOX1 P09601 1/20 0.43
CYP24A1 Q07973 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
NOS1 P29475 1/20 0.42
HMOX2 P30519 1/20 0.42

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
SCHEMBL5756514 1.00 ATP4A (0.45) ATP4AATP4BERBB2MINK1ALDH1A1
SCHEMBL5761481 0.97 ERBB2 (0.47) ATP4AATP4BERBB2MINK1ALDH1A1
SCHEMBL5761475 0.97 ERBB2 (0.47) ATP4AATP4BERBB2MINK1ALDH1A1
SCHEMBL5755643 0.90 ERBB2 (0.54) ATP4AATP4BERBB2MINK1HMOX1
SCHEMBL5755640 0.90 ERBB2 (0.54) ATP4AATP4BERBB2MINK1HMOX1
SCHEMBL5760885 0.88 ERBB2 (0.57) ATP4AATP4BERBB2MINK1HMOX1
SCHEMBL5760882 0.88 ERBB2 (0.57) ATP4AATP4BERBB2MINK1HMOX1
SCHEMBL5761155 0.87 ERBB2 (0.57) ATP4AATP4BERBB2MINK1HMOX1
SCHEMBL5761163 0.87 ERBB2 (0.57) ATP4AATP4BERBB2MINK1HMOX1
SCHEMBL5758825 0.87 ERBB2 (0.57) ATP4AATP4BERBB2MINK1HMOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP claimed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP claimed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US claimed
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 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 (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-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ATP4A 2449/4885ATP4B 2967/4885ERBB2 1/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ATP4A 3409/4885ATP4B 3452/4885ERBB2 2/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ATP4A 2085/4885ATP4B 2201/4885ERBB2 2/4885

“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.