SCHEMBL106440

SCHEMBL106440

[c]1cccc2c1COCO2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.39
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.31
CRHBP P24387 2/20 0.31
CRHR2 Q13324 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL9174815 0.83
SCHEMBL3417718 0.82 SMN1; SMN2 (0.48) LMNACRHBPCRHR2SMN1; SMN2HTT
SCHEMBL323509 0.75
SCHEMBL103524 0.71
SCHEMBL2884931 0.70 ABCG2 (0.52) ABCG2PKMTSHRLMNACRHBP
SCHEMBL14721950 0.69 MAOA (0.38) ABCG2TSHRLMNASMN1; SMN2ITGB2
SCHEMBL4894 0.68
SCHEMBL736844 0.68
SCHEMBL130778 0.68 ITGB2 (0.39) ABCG2LMNACRHBPCRHR2SMN1; SMN2
SCHEMBL980840 0.68 MAOA (0.32)

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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873309-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2024-01-16 US claimed
US-11718605-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-08-08 US claimed
CN-115925527-A Method for preparing alpha-diaryl methyl substituted ketone compound 湖南理工学院 2023-04-07 CN claimed
EP-4137489-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2023-02-22 EP claimed
US-20210317139-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-10-14 US claimed
EP-3504198-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2019-07-03 EP claimed
EP-3484866-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2019-05-22 EP claimed
EP-3472167-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS Incyte Corporation (US) 2019-04-24 EP claimed
US-20190040082-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2019-02-07 US claimed
WO-2018044783-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-03-08 WO claimed
US-20030208075-A1 Process for making chiral 1,4-disubstituted piperazines WYETH 2003-11-06 US claimed
US-20030187265-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution WYETH 2003-10-02 US claimed
WO-2003078417-A1 PROCESS FOR SYNTHESIZING CHIRAL N-ARYL PIPERAZINES WYETH, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-09-25 WO claimed
WO-2003078420-A2 PROCESS FOR MAKING CHIRAL 1,4-DISUBSTITUTED PIPERAZINES WYETH (US) 2003-09-25 WO claimed
US-5869486-A EXHIBIT INHIBITORY ACTIVITY ON CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE; ADMINISTERING TO TREAT CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-02-09 US claimed
JP-H08512031-A 1996-12-17 JP claimed
EP-0728759-A1 Heterocyclic compounds ONO PHARMACEUTICAL CO., LTD. (JP) 1996-08-28 EP claimed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP claimed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP claimed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20210317139-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS ABCG2 1928/4885PKM 3487/4885TSHR 2482/4885
US-11718605-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS ABCG2 1928/4885PKM 3487/4885TSHR 2482/4885
US-20030187265-A1 Process for synthesizing N-aryl piperazines with chiral N'-1-[benzoyl(2-pyridyl)amino]-2-propane substitution TPH1, HTR1B, HTR1A ABCG2 1176/4885PKM 2143/4885TSHR 705/4885
US-11873309-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS ABCG2 1928/4885PKM 3487/4885TSHR 2482/4885
US-20190040082-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS ABCG2 1928/4885PKM 3487/4885TSHR 2482/4885
US-20030208075-A1 Process for making chiral 1,4-disubstituted piperazines HTR1D, HTR1A, HTR5A ABCG2 453/4885PKM 3873/4885TSHR 540/4885

“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.