SCHEMBL5657617

SCHEMBL5657617

c1ncn(Cn2cncn2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.48
EGLN3 Q9H6Z9 1/20 0.48
FDPS P14324 1/20 0.43
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3053118 0.82 CYP19A1 (0.41) CYP19A1EGLN3FDPSHSP90AA1ALDH1A1
SCHEMBL1430632 0.78 CYP19A1 (0.38) CYP19A1EGLN3FDPSHSP90AA1ALDH1A1
SCHEMBL4686079 0.77
SCHEMBL21850758 0.77
SCHEMBL665120 0.77
SCHEMBL25088374 0.77
SCHEMBL6356094 0.77
SCHEMBL2679933 0.77
SCHEMBL9557335 0.77
SCHEMBL6222763 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424321-B Vapor phase corrosion inhibition 路博润公司 2022-08-23 CN disclosed
US-20210230496-A1 VAPOR PHASE CORROSION INHIBITION LUBRIZOL CORP (US) 2021-07-29 US disclosed
EP-3802750-A1 VAPOR PHASE CORROSION INHIBITION The Lubrizol Corporation (US) 2021-04-14 EP disclosed
CN-112424321-A Vapor phase corrosion inhibition 路博润公司 2021-02-26 CN disclosed
US-7262185-B2 Benzazepine derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2007-08-28 US disclosed
US-20040235822-A1 Benzazepine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-11-25 US disclosed
EP-1422228-A1 BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-05-26 EP 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-20040235822-A1 Benzazepine derivative, process for producing the same, and use CYP1B1, CYP1A1, CYP2E1 CYP19A1 86/4885EGLN3 3502/4885FDPS 3052/4885

“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.