SCHEMBL2266518

SCHEMBL2266518

O=Cc1cc(F)ccc1C(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ERN1 O75460 1/20 0.39
PTPN1 P18031 1/20 0.39
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
FFAR4 Q5NUL3 2/20 0.35
NFE2L2 Q16236 2/20 0.34
F2RL1 P55085 2/20 0.34
FFAR1 O14842 1/20 0.34
TDO2 P48775 1/20 0.33
EGFR P00533 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
SCHEMBL1419955 0.83 KDM4E (0.40) KDM4EALDH1A1ERN1PTPN1CES2
SCHEMBL84113 0.82 KDM4E (0.42) KDM4EALDH1A1ERN1PTPN1CES2
SCHEMBL23244733 0.77 ERN1 (0.39) KDM4EALDH1A1ERN1PTPN1CES2
SCHEMBL25339636 0.77 ERN1 (0.44) KDM4EALDH1A1ERN1
SCHEMBL25949212 0.76 ERN1 (0.33) ALDH1A1ERN1EGFR
SCHEMBL30211971 0.76 ERN1 (0.33) ALDH1A1ERN1EGFR
SCHEMBL4363014 0.75 ERN1 (0.46) KDM4EALDH1A1ERN1PTPN1CES2
SCHEMBL29957006 0.75 ERN1 (0.46) KDM4EALDH1A1ERN1PTPN1CES2
SCHEMBL27974632 0.75 F2RL1 (0.35) CES2CES1FFAR4NFE2L2F2RL1
SCHEMBL65723 0.73 ERN1 (0.56) KDM4EALDH1A1ERN1PTPN1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RELAY THERAPEUTICS, INC. (US) 2026-03-17 US disclosed
US-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors RELAY THERAPEUTICS, INC. (US) 2025-02-04 US disclosed
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2024-08-29 US disclosed
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed
US-20230353959-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-11-02 US disclosed
CN-116261562-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2023-06-13 CN disclosed
EP-4143196-A1 PI3K-a INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2023-03-08 EP disclosed
WO-2021222556-A1 PI3K-α INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed
CN-102388048-B Triazolo [4,3-b] pyridazine derivatives and their uses for prostate cancer ASTRAZENECA AB 2014-07-30 CN disclosed
CN-102388048-A Triazolo [4,3-b] pyridazine derivatives and their uses for prostate cancer ASTRAZENECA AB 2012-03-21 CN disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 EP disclosed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
CN-101952286-A Bicyclic derivatives for use in the treatment of androgen receptor associated conditions ASTRAZENECA AB 2011-01-19 CN disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 WO disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
WO-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 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 (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-12219327-B2 Substituted isoindolines as PI3K-alpha inhibitors PIK3CD, PIK3CB, PIK3R1 KDM4E 2705/4885ALDH1A1 2405/4885ERN1 652/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA KDM4E 1039/4885ALDH1A1 377/4885ERN1 3595/4885
US-20240287058-A1 PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF PIK3CA, PIK3CB, PIK3CD KDM4E 2924/4885ALDH1A1 3446/4885ERN1 448/4885
US-12581252-B2 Substituted pyrrolo[3,4-b]pyridines as PI3K-α inhibitors RORB, ROR1, RORA KDM4E 3201/4885ALDH1A1 1259/4885ERN1 437/4885
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 KDM4E 3067/4885ALDH1A1 806/4885ERN1 3859/4885

“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.