SCHEMBL930175

SCHEMBL930175

OCCc1cc(Cl)cc(Br)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 3/20 0.40
HIF1A Q16665 4/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP3A4 P08684 3/20 0.34
TSHR P16473 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 1/20 0.34
HSP90AA1 P07900 2/20 0.33
PTPN1 P18031 1/20 0.33
AMY1A P0DUB6 3/20 0.33
MAPT P10636 2/20 0.32
SLC22A1 O15245 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL3100341 0.90 ERN1 (0.48) ERN1CYP2C9CYP1A2HIF1ACYP2C19
SCHEMBL6275851 0.83 ERN1 (0.47) ERN1CYP2C9CYP1A2HIF1ACYP2C19
SCHEMBL67605 0.81 CYP2C9 (0.53) ERN1CYP2C9CYP1A2HIF1ACYP2C19
SCHEMBL2974181 0.79 CYP1A2 (0.59) ERN1CYP2C9CYP1A2HIF1ACYP2C19
SCHEMBL4136744 0.79 CYP3A4 (0.54) ERN1CYP1A2HIF1ACYP2C19HPGD
SCHEMBL11591823 0.79 ERN1 (0.47) ERN1CYP2C9CYP1A2HIF1ACYP2C19
SCHEMBL4592293 0.78 MCL1 (0.34) ERN1CYP2C9CYP1A2HIF1ACYP3A4
SCHEMBL13888155 0.78 ERN1 (0.50) ERN1CYP2C9CYP1A2HIF1ACYP2C19
SCHEMBL7119646 0.75 ERN1 (0.60) ERN1HIF1AHPGDALDH1A1HSD17B10
SCHEMBL23647915 0.74 ERN1 (0.36) ERN1CYP2C9CYP1A2CYP2C19ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 US claimed
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 EP disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
EP-2448941-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2012-05-09 EP disclosed
WO-2011003065-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2011-01-06 WO disclosed
WO-2011003065-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2011-01-06 WO disclosed
US-7777073-B2 Topical delivery system for antiaging and skin whitening agents BIODERM RESEARCH (US) 2010-08-17 US disclosed
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents BIODERM RESEARCH (US) 2009-03-19 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 (6 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ERN1 1089/4885CYP2C9 898/4885CYP1A2 815/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ERN1 1089/4885CYP2C9 898/4885CYP1A2 815/4885
US-20090074691-A1 Topical Delivery System for Antiaging and Skin Whitening Agents TYR, MMP17, MMP1 ERN1 4655/4885CYP2C9 914/4885CYP1A2 277/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ERN1 1089/4885CYP2C9 898/4885CYP1A2 815/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ERN1 1089/4885CYP2C9 898/4885CYP1A2 815/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ERN1 1089/4885CYP2C9 898/4885CYP1A2 815/4885

“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.