SCHEMBL3754570

SCHEMBL3754570

N/C(=N\O)c1cccc(Cn2ccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.62
CYP11B1 P15538 9/20 0.59
CYP11B2 P19099 9/20 0.59
ADRA2C P18825 1/20 0.56
TBXAS1 P24557 2/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
QPCT Q16769 1/20 0.53
CYP4Z1 Q86W10 1/20 0.53
QPCTL Q9NXS2 1/20 0.53
AGTR2 P50052 1/20 0.51

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
SCHEMBL3457021 1.00 CYP19A1 (0.62) CYP19A1CYP11B1CYP11B2ADRA2CTBXAS1
SCHEMBL773136 0.83 CYP11B1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL773135 0.83 CYP11B1 (0.59) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL9853963 0.79 CYP19A1 (0.80) CYP19A1CYP11B1CYP11B2ADRA2CTBXAS1
SCHEMBL394308 0.79 CYP11B1 (0.83) CYP19A1CYP11B1CYP11B2ADRA2CTBXAS1
SCHEMBL5478998 0.78 CYP19A1 (0.73) CYP19A1CYP11B1CYP11B2ADRA2CTBXAS1
SCHEMBL1703627 0.76 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL24247782 0.76 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2ADRA2CTBXAS1
SCHEMBL3754518 0.76 HDAC1 (0.64) CYP19A1
SCHEMBL3460275 0.76 HDAC1 (0.64) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 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 (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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 CYP19A1 1163/4885CYP11B1 425/4885CYP11B2 429/4885

“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.