SCHEMBL6886853

SCHEMBL6886853

[CH2]c1ccc(F)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
TRPA1 O75762 3/20 0.38
PTGS1 P23219 1/20 0.38
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL1119428 0.82 NFE2L2 (0.46) NFE2L2CA12CA1CA2CA4
SCHEMBL3032936 0.78 GPR3 (0.40) KDM4ETRPA1
SCHEMBL166380 0.78 NFE2L2 (0.61) NFE2L2CA12CA1CA2CA4
SCHEMBL18472613 0.78 NFE2L2 (0.61) NFE2L2CA12CA1CA2CA4
SCHEMBL29362946 0.76 MEN1 (0.46) NFE2L2CA12CA1CA2CA4
SCHEMBL28299621 0.76 NFE2L2 (0.59) NFE2L2CA12CA1CA2CA4
SCHEMBL197623 0.76 MEN1 (0.46) NFE2L2CA12CA1CA2CA4
SCHEMBL4332893 0.76 NFE2L2 (0.48) NFE2L2CA12CA1CA2CA4
SCHEMBL126703 0.74 CA12 (0.62) NFE2L2CA12CA1CA2CA7
SCHEMBL3881563 0.74 ACHE (0.62) KDM4EMEN1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP claimed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO claimed
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
US-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-16 US disclosed
WO-2024101386-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed
WO-2023169569-A1 TRICYCLIC HETEROCYCLE COMPOUNDS AS IAP ANTAGONISTS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2023-09-14 WO disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed
CN-109535019-B 1,1a,6,6 a-tetrahydrocyclopropa [ a ] indene-1-amine derivative and preparation method and application thereof 华东师范大学 2021-08-20 CN disclosed
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 EP disclosed
CN-1309561-A Therapeutic agent for erectile dysfunction MOCHIDA PHARM CO LTD (JP) 2001-08-22 CN disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
CN-1238759-A Nitrone derivatives SUMITOMO PHARMA (JP) 1999-12-15 CN disclosed
EP-0061835-B1 TRIAZOLE COMPOUNDS, A PROCESS FOR PREPARING THEM, THEIR USE AS PLANT FUNGICIDES AND FUNGICIDAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-01 EP 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 (1 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-20240158446-A1 CYCLIC COMPOUND HAVING SELECTIVE INHIBITORY ACTION ON KRAS OVER HRAS AND NRAS KRAS, HRAS, NRAS NFE2L2 2091/4885CA12 3001/4885CA1 3294/4885

“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.