SCHEMBL20719264

SCHEMBL20719264

CCn1cc2c(F)c(Br)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 5/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 7/20 0.33
MAT2A P31153 2/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HTR6 P50406 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
COMT P21964 1/20 0.30
PTGER4 P35408 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
SCHEMBL21631557 0.80 PTPN11 (0.38) NPC1ALDH1A1KDM4ERAB9ATSHR
SCHEMBL20680657 0.78 CYP11B1 (0.33) ALDH1A1RAB9ASMN1; SMN2KMT2AL3MBTL1
SCHEMBL21631668 0.77 MET (0.35) ALDH1A1KDM4EMAPT
SCHEMBL20680665 0.77 RIPK1 (0.32) L3MBTL1
SCHEMBL31424377 0.76
SCHEMBL29303418 0.76 TSHR (0.43) NPC1ALDH1A1KDM4ERAB9ATSHR
SCHEMBL28786067 0.73 SMN1; SMN2 (0.41) NPC1ALDH1A1KDM4ERAB9ATSHR
SCHEMBL17682469 0.72 AR (0.39) NPC1ALDH1A1KDM4ERAB9ATSHR
SCHEMBL543331 0.72 ALDH1A1 (0.46) NPC1ALDH1A1KDM4ERAB9ATSHR
SCHEMBL28786064 0.72 NPC1 (0.40) NPC1ALDH1A1KDM4ERAB9ATSHR

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
US-11466016-B2 Pharmaceutical compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-10-11 US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-04-15 US disclosed
CN-111902415-A Pharmaceutical compounds 大冢制药株式会社 2020-11-06 CN disclosed
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US 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 (8 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 NPC1 3947/4885ALDH1A1 2314/4885KDM4E 2833/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 NPC1 3824/4885ALDH1A1 1953/4885KDM4E 2898/4885
US-20210107908-A1 PHARMACEUTICAL COMPOUNDS MAPT, CYP3A5, SLC5A1 NPC1 238/4885ALDH1A1 703/4885KDM4E 2767/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3947/4885ALDH1A1 2314/4885KDM4E 2833/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3824/4885ALDH1A1 1953/4885KDM4E 2898/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 NPC1 3967/4885ALDH1A1 2320/4885KDM4E 2938/4885
US-11466016-B2 Pharmaceutical compounds MAPT, CYP3A5, SLC5A1 NPC1 238/4885ALDH1A1 703/4885KDM4E 2767/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 NPC1 3967/4885ALDH1A1 2320/4885KDM4E 2938/4885

“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.