SCHEMBL16879487

SCHEMBL16879487

N#Cc1ccc(CNc2ncccc2N)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CHUK O15111 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL16879713 0.80 NPC1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19NPC1
SCHEMBL27407042 0.80 WNT3A (0.46) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9854331 0.77 CYP1A2 (0.52) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30612292 0.75 HPGD (0.41) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL26921809 0.75 HPGD (0.41) HPGDCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1714122 0.72 KDR (0.48)
SCHEMBL31631318 0.72 BACE1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL6285864 0.72 BACE1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL5212805 0.71 APP (0.54) HPGDALDH1A1MEN1KMT2ABACE1
SCHEMBL7835214 0.71 KDM4E (0.55) HPGDCYP1A2CYP3A4CYP2C9CYP2C19

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 8 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
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 HPGD 502/4885CYP1A2 22/4885CYP3A4 73/4885

“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.