SCHEMBL20564653

SCHEMBL20564653

NCCc1ccc2ccccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.48
POLB P06746 1/20 0.47
CYP2A6 P11509 2/20 0.42
HTR2A P28223 2/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
CTSK P43235 1/20 0.42
HTR6 P50406 1/20 0.42
CYP2A13 Q16696 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6403911 0.84 POLB (0.50) TAAR1POLBCYP2A6HTR2AALDH1A1
SCHEMBL7056431 0.82 POLB (0.48) POLBCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL14151518 0.81 POLB (0.47) POLBCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL6680376 0.81 POLB (0.47) POLBCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL2012787 0.81 POLB (0.52) POLBCYP2A6ALDH1A1TSHRHSD17B10
SCHEMBL5670041 0.78 TAAR1 (0.45) TAAR1POLBCYP2A6HTR2AMPO
SCHEMBL3692475 0.78 TAAR1 (0.53) TAAR1CYP2A6HTR2AMPOCYP1A2
SCHEMBL6680282 0.78 NCEH1 (0.46) POLBALDH1A1TDP1MAPTKDM4E
SCHEMBL7388022 0.78 POLB (0.48) POLBCYP2A6CYP1A2CYP2D6ALDH1A1
SCHEMBL4698955 0.78 POLB (0.52) POLBCYP2A6CYP1A2ALDH1A1TSHR

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 6 patents. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 TAAR1 388/4885POLB 1369/4885CYP2A6 131/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 TAAR1 388/4885POLB 1369/4885CYP2A6 131/4885

“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.