SCHEMBL20601577

SCHEMBL20601577

COCOc1cnc(Br)cc1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
CYP3A4 P08684 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
HTT P42858 2/20 0.35
XDH P47989 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
PTPN1 P18031 1/20 0.33
CYP2C9 P11712 1/20 0.33
EGFR P00533 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHEK1 O14757 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
SCHEMBL18013422 0.83 HTT (0.46) TSHRCYP3A4PTGDR2HTTMAPT
SCHEMBL2185042 0.82 DPP4 (0.42) TSHRALDH1A1SMN1; SMN2
SCHEMBL18572109 0.81 CYP3A4 (0.40) TSHRCYP3A4PTGDR2HTTXDH
SCHEMBL2076843 0.80 CYP3A4 (0.36) TSHRCYP3A4PTGDR2HTTXDH
SCHEMBL2079318 0.78 CYP3A4 (0.37) TSHRCYP3A4XDHALDH1A1MAOB
SCHEMBL21246846 0.77 POLB (0.39) HTTXDHMAPTEGFRSMN1; SMN2
SCHEMBL31519323 0.77 BACE1 (0.33) XDHMAPTEGFR
SCHEMBL20271260 0.77 BACE1 (0.33) XDHMAPTEGFR
SCHEMBL23202755 0.76 CYP3A4 (0.67) TSHRCYP3A4PTGDR2HTTMAPT
SCHEMBL30350318 0.76 CYP3A4 (0.67) TSHRCYP3A4PTGDR2HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906924-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-02 US disclosed
US-10906924-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-02 US disclosed
US-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
US-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
EP-3645538-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-05-06 EP disclosed
CN-110770240-A Modulators of indoleamine2, 3-dioxygenase 葛兰素史克知识产权开发有限公司 2020-02-07 CN disclosed
WO-2019003148-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 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-20200165280-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 TSHR 2782/4885CYP3A4 328/4885PTGDR2 539/4885
US-10906924-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 TSHR 2782/4885CYP3A4 328/4885PTGDR2 539/4885

“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.