SCHEMBL2585038

SCHEMBL2585038

O=CC=Cc1cncnc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
XDH P47989 2/20 0.39
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
GABBR2 O75899 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL6228670 1.00 ALDH1A1 (0.46) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL6653970 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL6653966 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL457159 0.73 CYP11B1 (0.61) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL457158 0.73 CYP11B1 (0.61) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL29881470 0.73 CYP11B1 (0.61) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL193843 0.73
SCHEMBL1431431 0.72 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18255045 0.72 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL21421414 0.72 ALDH1A1 (0.39) ALDH1A1TRPA1LMNAALOX5MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed
CN-100351240-C Rosuvastatin calcium synthesis method ANHUI QINGYUN MEDICINAL CHEMIC (CN) 2007-11-28 CN claimed
CN-1807418-A Rosuvastatin calcium synthesis method ANHUI QINGYUN MEDICINAL CHEMIC (CN) 2006-07-26 CN claimed
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed
US-8049010-B2 Using 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-formaldehyde as raw material; cyanation to 4-4'-fluorophenyl-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-acrylonitrile; carbonylation, chain extension, hydrolysis, neutralization, decomposition, catalysis Anhui Qingyun Pharmaceuticals & Chemical Co., Ltd. (CN) 2011-11-01 US disclosed
CN-100351240-C Rosuvastatin calcium synthesis method ANHUI QINGYUN MEDICINAL CHEMIC (CN) 2007-11-28 CN disclosed
CN-1807418-A Rosuvastatin calcium synthesis method ANHUI QINGYUN MEDICINAL CHEMIC (CN) 2006-07-26 CN disclosed
CN-1671726-A 3-descladinosyl-6-O-carbamoyl and 6-O-alkoxycarbonyl macrolide antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2005-09-21 CN disclosed
EP-1513856-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-6825172-B2 BACTERICIDES; AGAINST GRAMNEGATIVE, GRAMPOSITIVE BACTERIA JANSSEN PHARMACEUTICA, NV (BE) 2004-11-30 US disclosed
US-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-29 US disclosed
WO-2003102010-A1 3-DESCLADINOSYL-6-O-CARBAMOYL AND 6-O-CARBONOYL MACROLIDE ANTIBACTERIAL AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-11 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-20040018994-A1 3-Descladinosyl-6-O-carbamoyl and 6-O-carbonoyl macrolide antibacterial agents CHCHD6, MRPL21, MRPS18B ALDH1A1 4053/4885TRPA1 4718/4885LMNA 3091/4885

“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.