SCHEMBL10160746

SCHEMBL10160746

Cc1cc2c(o1)CCCC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MAOA P21397 2/20 0.33
NQO1 P15559 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL26314754 0.71 ALOX15 (0.33) TSHRALDH1A1MAPT
SCHEMBL14930415 0.71 HTT (0.32) NQO1HTTTDP1
SCHEMBL3135172 0.70 TDP1 (0.53) TSHRMAOANQO1MAPK1HTT
SCHEMBL25674610 0.70 KDM4E (0.32) ALDH1A1MAPTHPGD
SCHEMBL8052918 0.69 MAOA (0.44) MAOA
SCHEMBL10512470 0.69 MAOA (0.44) MAOA
SCHEMBL15980347 0.69 ALDH1A1 (0.44) TSHRNPC1ALDH1A1PKMHPGD
SCHEMBL15980353 0.69 ALDH1A1 (0.41) TSHRNPC1ALDH1A1TP53MAPT
SCHEMBL13600314 0.67 TDP1 (0.45) NQO1TDP1CA1CA9
SCHEMBL13424016 0.67 ALOX15 (0.33) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116812-A1 SULFONYLUREA COMPOUND 瑞石生物医药有限公司 2023-06-29 WO disclosed
EP-4159736-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2023-04-05 EP disclosed
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 US disclosed
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-9006237-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2015-04-14 US disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases ANDREWS MARTIN JAMES INGLIS (BE) 2012-09-13 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 US disclosed
US-8148369-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-04-03 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 US disclosed
US-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS, N.V. (BE) 2009-01-08 US disclosed
WO-2008138842-A1 IMIDAZOPYRAZINES AND TRIAZOLOPYRAZINE FOR THE TREATMENT OF JOINT DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 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 (4 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-20090012078-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases TNF, LITAF, CNKSR1 TSHR 2843/4885MAOA 2798/4885NQO1 83/4885
US-20120232075-A1 Fused Pyrazine Compounds Useful for the Treatment of Degenerative and Inflammatory Diseases TNF, LITAF, CNKSR1 TSHR 2843/4885MAOA 2798/4885NQO1 83/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB TSHR 3651/4885MAOA 3136/4885NQO1 515/4885
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF LEF1, L1CAM, PIEZO1 TSHR 3801/4885MAOA 578/4885NQO1 1060/4885

“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.