SCHEMBL261397

SCHEMBL261397

Fc1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
EPAS1 Q99814 3/20 0.43
GPR3 P46089 1/20 0.40
EPHX2 P34913 1/20 0.39
PDE2A O00408 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 4/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MBOAT4 Q96T53 1/20 0.34
MPO P05164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL1337233 0.83 GPR3 (0.40) PKMEPAS1GPR3EPHX2PDE2A
SCHEMBL30568364 0.78 GPR3 (0.46) GPR3EPHX2PDE2AL3MBTL1ALDH1A1
SCHEMBL12566385 0.78 EPHX2 (0.53) EPAS1GPR3EPHX2PDE2AALDH1A1
SCHEMBL16951248 0.78 MBOAT4 (0.36) PKMEPHX2PDE2ATDP1L3MBTL1
SCHEMBL30878054 0.78 MBOAT4 (0.39) EPAS1EPHX2PDE2ATDP1L3MBTL1
SCHEMBL24731505 0.78 MAPK1 (0.34) EPHX2PDE2ATDP1L3MBTL1ALDH1A1
SCHEMBL263399 0.78 EPHX2 (0.38) EPHX2PDE2ATDP1L3MBTL1ALDH1A1
SCHEMBL30900367 0.78 MAPK1 (0.34) EPHX2PDE2ATDP1L3MBTL1ALDH1A1
SCHEMBL21648919 0.78 MAPK1 (0.34) EPHX2PDE2ATDP1L3MBTL1ALDH1A1
SCHEMBL263489 0.78 MBOAT4 (0.39) EPAS1EPHX2PDE2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
CN-116730845-A High-fluorine-content biphenyl diamine, colorless polyimide optical film, and preparation method and application thereof 华南理工大学 2023-09-12 CN disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
WO-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed
CN-109843856-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2023-05-02 CN disclosed
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 EP disclosed
US-11267812-B2 KRAS G12C inhibitors Mirati Therapeutics, Inc. (US) 2022-03-08 US disclosed
EP-3458445-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2021-02-17 EP disclosed
EP-2155727-A1 N-[6-AMINO-5-(PHENYL)PYRAZIN-2-YL]-ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN Pfizer Limited (GB) 2010-02-24 EP disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
US-20090048306-A1 PYRIDINE DERIVATIVES PFIZER, INC. (US) 2009-02-19 US disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135826-A2 2 -PYRIDINE CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL MODULATORS PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135830-A1 N- [6-AMINO-S- (PHENYL) PYRAZIN-2-YL] -ISOXAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS NAV1.8 CHANNEL MODULATORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2008-11-13 WO disclosed
US-20080280873-A1 Biaryl Substituted Pyrazinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280873-A1 Biaryl Substituted Pyrazinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2008-11-13 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 (5 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-11267812-B2 KRAS G12C inhibitors KRAS, NRAS, HRAS PKM 4596/4885EPAS1 834/4885GPR3 1887/4885
US-20080280873-A1 Biaryl Substituted Pyrazinones as Sodium Channel Blockers TRPV1, TRPA1, TRPV5 PKM 1264/4885EPAS1 1240/4885GPR3 371/4885
US-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PKM 4596/4885EPAS1 834/4885GPR3 1887/4885
US-20090048306-A1 PYRIDINE DERIVATIVES SDHA, P2RX4, P2RX3 PKM 204/4885EPAS1 3579/4885GPR3 1143/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS PKM 4596/4885EPAS1 834/4885GPR3 1887/4885

“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.