SCHEMBL4077664

SCHEMBL4077664

NS(=O)(=O)c1ccccc1CC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.49
PTGES2 Q9H7Z7 1/20 0.42
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
NR2F2 P24468 1/20 0.40
RAB9A P51151 1/20 0.40
P2RX4 Q99571 1/20 0.39
CTSB P07858 1/20 0.38

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
SCHEMBL1874464 0.96 PKM (0.45) PKMPTGES2KDM4ETSHRCYP1A2
SCHEMBL27283206 0.83 CTSB (0.46) PTGES2CYP2C9LMNAP2RX4CTSB
SCHEMBL3366324 0.82 KMT2A (0.61) PKMKDM4EKMT2AALDH1A1HPGD
SCHEMBL20775411 0.76 PKM (0.46) PKMKDM4ETSHRCYP1A2CYP2C9
SCHEMBL3811042 0.76 CA1 (0.42) PTGES2CYP2C9P2RX4CTSB
SCHEMBL14935756 0.76 PKM (0.46) PKMKDM4ETSHRCYP1A2CYP2C9
SCHEMBL2470118 0.76 CA2 (0.44) PTGES2CYP2C9CTSB
SCHEMBL4866153 0.75 TSHR (0.43) PKMPTGES2KDM4ETSHRKMT2A
SCHEMBL11242360 0.74 PKM (0.49) PKMKDM4ETSHRCYP1A2CYP2C9
SCHEMBL30937791 0.73 PARP1 (0.50) PKMKDM4ECYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP claimed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO claimed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 US disclosed
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors NOVARTIS AG (CH) 2018-06-26 US disclosed
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NOVARTIS AG (CH) 2017-02-16 US disclosed
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO disclosed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP disclosed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 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-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PKM 1175/4885PTGES2 1025/4885KDM4E 528/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 PKM 1175/4885PTGES2 1025/4885KDM4E 528/4885
US-10004732-B2 Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors PI4KA, PIP5K1B, PIP4K2B PKM 682/4885PTGES2 2162/4885KDM4E 2666/4885
US-20170042889-A1 AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KA, PIP5K1B, PIP4K2B PKM 682/4885PTGES2 2162/4885KDM4E 2666/4885

“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.