SCHEMBL16879692

SCHEMBL16879692

COc1ccc(-c2cc(N)ncc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.49
▸ CSNK2A1 P68400 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PGR P06401 1/20 0.43
▸ AR P10275 1/20 0.43
▸ PRKAB2 O43741 1/20 0.43
▸ PRKAG1 P54619 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ PRKAG3 Q9UGI9 1/20 0.43

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
SCHEMBL18356736 0.83 KDM4E (0.51) KMT2AMEN1ADORA1KDM4EALDH1A1
SCHEMBL16879839 0.82 CYP11B2 (0.50) CSNK2A1KMT2AMEN1KDM4EALDH1A1
SCHEMBL2954914 0.77 ALDH1A1 (0.56) CSNK2A1KMT2AMEN1ADORA1KDM4E
SCHEMBL29662946 0.76 PGR (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL7095254 0.76 PGR (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL6443599 0.74 KDM4E (0.52) CSNK2A1KMT2AMEN1ADORA1KDM4E
SCHEMBL31071483 0.74 RPS6KA3 (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL1461950 0.74 SQOR (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL29663159 0.74 SQOR (0.55) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL21136501 0.74 ALDH1A1 (0.56) CSNK2A1KMT2AMEN1ADORA1KDM4E

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
EP-3089966-B1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE ESTRYX PHARMA LTD (GB) 2020-10-21 — — EP disclosed
US-9682941-B2 Substituted biphenyl analogues as dual inhibitors of aromatase and sulfatase ESTRYX PHARMA LIMITED (GB) 2017-06-20 — — US disclosed
US-9682941-B2 Substituted biphenyl analogues as dual inhibitors of aromatase and sulfatase ESTRYX PHARMA LIMITED (GB) 2017-06-20 — — US disclosed
US-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2017-01-05 — — US disclosed
US-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2017-01-05 — — US disclosed
EP-3089966-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE Beaufour Ipsen Tianjin Pharmaceutical Co., Ltd (CN) 2016-11-09 — — EP disclosed
WO-2015100609-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2015-07-09 — — 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 (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-20170001964-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE CYP19A1, SULT2A1, STS DYRK1A 426/4885CSNK2A1 3215/4885KMT2A 467/4885

“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.

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