SCHEMBL3308529

SCHEMBL3308529

Fc1cc(Br)cc2nccnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
NQO2 P16083 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK10 P53779 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL17875688 0.77 NQO2 (0.45) CYP1A2CYP2C19HTTCCNB2CDK1
SCHEMBL18635306 0.77 GSK3A (0.38) HTTCCNB2CDK1CCNB1GSK3A
SCHEMBL18260115 0.75 NQO2 (0.47) CYP1A2CYP2C19HTTNQO2
SCHEMBL26650681 0.74 CYP1A2 (0.35) CYP1A2CYP2C19HTTCCNB2CDK1
SCHEMBL16039310 0.74 NSD1 (0.39) CYP1A2CYP2C19HTTCCNB2CDK1
SCHEMBL18228037 0.74 CYP1A2 (0.35) CYP1A2CYP2C19HTTCCNB2CDK1
SCHEMBL3922704 0.74 NQO2 (0.48) CYP1A2CYP2C19HTTCCNB2CDK1
SCHEMBL25261769 0.71 ALDH1A1 (0.39) NQO2ALDH1A1
SCHEMBL25299656 0.71 ALDH1A1 (0.39) NQO2ALDH1A1
SCHEMBL25841003 0.71 PTGES (0.33) NQO2

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-20250101436-A1 APTAMERS AND SMALL MOLECULE LIGANDS MeiraGTx Gene Regulation Limited (GB) 2025-03-27 US disclosed
EP-4448769-A2 APTAMERS AND SMALL MOLECULE LIGANDS Meiragtx UK II Limited (GB) 2024-10-23 EP disclosed
CN-118786217-A Aptamer and small molecule ligand 梅里特斯英国第二有限公司 2024-10-15 CN disclosed
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
US-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-07 US disclosed
WO-2023111686-A2 APTAMERS AND SMALL MOLECULE LIGANDS MEIRAGTX UK II LIMITED (GB) 2023-06-22 WO disclosed
EP-4188542-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-06-07 EP disclosed
WO-2022031735-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 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 (3 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-20230278984-A1 UREA DERIVATIVES AS PYRUVATE KINASE ACTIVATORS PKM, PDK1, PDK2 CYP1A2 3978/4885CYP2C19 3253/4885HTT 1637/4885
US-20250101436-A1 APTAMERS AND SMALL MOLECULE LIGANDS RNGTT, SLIRP, SNRPE CYP1A2 4582/4885CYP2C19 4705/4885HTT 2184/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT CYP1A2 53/4885CYP2C19 44/4885HTT 3044/4885

“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.