SCHEMBL5354038

SCHEMBL5354038

Cc1ccc2c(ccn2C)c1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
DHFR P00374 1/20 0.38
NQO2 P16083 1/20 0.37
RHEB Q15382 1/20 0.35
HSD11B1 P28845 4/20 0.35
PRKCI P41743 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PKM P14618 1/20 0.32
CYP2A6 P11509 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
ASH1L Q9NR48 1/20 0.30

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
SCHEMBL14502422 0.78 KDM4E (0.41) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL18552651 0.78 DHFR (0.44) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL8912434 0.75 KDM4E (0.39) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL18876105 0.75 RHEB (0.42) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL21603427 0.75 DHFR (0.45) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL31705935 0.75 RHEB (0.42) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL18876199 0.75 HSD11B1 (0.41) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL22025573 0.75 KDM4E (0.38) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL21831849 0.75 ALDH1A1 (0.45) KDM4EALDH1A1MAPTRXFP1DHFR
SCHEMBL6387332 0.75 NQO2 (0.38) KDM4EALDH1A1MAPTRXFP1DHFR

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN disclosed
US-7291621-B2 Substituted biaryl amides C5a receptor modulators NEUROGEN CORPORATION (US) 2007-11-06 US disclosed
US-7148225-B2 Substituted biaryl amides as C5A receptor modulators NEUROGEN CORPORATION (US) 2006-12-12 US disclosed
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2006-08-10 US disclosed
EP-1487796-A4 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORP (US) 2005-11-16 EP disclosed
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2005-05-05 US disclosed
US-6858637-B2 Treating rheumatoid arthritis, psoriasis, cardiovascular disease, reperfusion injury, and bronchial asthma; e.g., 2-Methoxynaphthalene-1-carboxylic acid benzyl-indan-2-yl-amide NEUROGEN CORPORATION (US) 2005-02-22 US disclosed
EP-1487796-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-12-22 EP disclosed
US-20040048913-A1 Substituted biaryl amides as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2004-03-11 US disclosed
WO-2003082826-A1 SUBSTITUTED BIARYL AMIDES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2003-10-09 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 (5 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-20040048913-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 KDM4E 3896/4885ALDH1A1 1494/4885MAPT 4555/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 KDM4E 1545/4885ALDH1A1 418/4885MAPT 4469/4885
US-20050096358-A1 Substituted biaryl amides as C5A receptor modulators C5AR1, C5AR2, C3AR1 KDM4E 3737/4885ALDH1A1 1680/4885MAPT 4545/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 KDM4E 1545/4885ALDH1A1 418/4885MAPT 4469/4885
US-20060178414-A1 Substituted biaryl amides as C5a receptor modulators C5AR1, C5AR2, C3AR1 KDM4E 3737/4885ALDH1A1 1680/4885MAPT 4545/4885

“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.