SCHEMBL3739271

SCHEMBL3739271

N#Cc1cc2c(cc1Br)OCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
GAA P10253 4/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 6/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 4/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CASP7 P55210 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 1/20 0.35
MAPT P10636 6/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.34
ALOX15 P16050 2/20 0.34

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
SCHEMBL3521436 0.88 KMT2A (0.39) ALDH1A1GAATSHRHSD17B10KDM4E
SCHEMBL1751672 0.77 AHR (0.53) ALDH1A1GAAHSD17B10HPGDNPC1
SCHEMBL4145121 0.75 NPC1 (0.40) ALDH1A1GAATSHRHSD17B10KDM4E
SCHEMBL1622661 0.75 MAPT (0.43) ALDH1A1GAATSHRHSD17B10KDM4E
SCHEMBL10979117 0.75 MAPT (0.47) ALDH1A1GAATSHRHSD17B10KDM4E
SCHEMBL14172609 0.75 CYP3A4 (0.42) ALDH1A1GAAHSD17B10KDM4ENPSR1
SCHEMBL10945159 0.74 MEN1 (0.42) TSHRMEN1KMT2AHTT
SCHEMBL3533639 0.72 CYP3A4 (0.40) ALDH1A1GAATSHRNPSR1HPGD
SCHEMBL23830067 0.71 MEN1 (0.40) TSHRMEN1KMT2AHTT
SCHEMBL7861452 0.71 SMN1; SMN2 (0.39) ALDH1A1GAAKDM4EHPGDCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 CN disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-9006450-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders MYRIAD PHARMACEUTICALS, INC. (US) 2010-11-18 US disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed
US-4515768-A STABILIZER AGAINST THERMAL DECOMPOSITION AIRWICK INDUSTRIES, INC. (US) 1985-05-07 US disclosed
EP-0036385-B1 INSECTICIDAL VAPOUR-EMITTING COMPOSITIONS ON THE BASIS OF PYRETHRINOIDS Airwick AG (CH) 1984-05-02 EP disclosed
US-4439415-A PYRETHRINOID AND ABSORPTIVE SUBSTRATE AIRWICK INDUSTRIES, INC. (US) 1984-03-27 US disclosed
EP-0037375-A1 Insecticidal-vapours emitting device Airwick AG (CH) 1981-10-07 EP disclosed
EP-0036385-A2 Insecticidal vapour-emitting compositions on the basis of pyrethrinoids Airwick AG (CH) 1981-09-23 EP disclosed
US-4037353-A Device for emitting vapors of active substance AIRWICK INDUSTRIES, INC. (US) 1977-07-26 US disclosed
US-4037352-A PYRETHRINOIDS AIRWICK INDUSTRIES, INC. (US) 1977-07-26 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 (4 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885GAA 4879/4885TSHR 654/4885
US-20120157425-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF P2RX5, P2RX3, ABCG2 ALDH1A1 388/4885GAA 364/4885TSHR 4594/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 ALDH1A1 468/4885GAA 4879/4885TSHR 654/4885
US-20100292255-A1 Therapeutic Compounds and Their Use in Treating Diseases and Disorders VHL, CLN6, CFTR ALDH1A1 515/4885GAA 16/4885TSHR 4696/4885

“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.