SCHEMBL4599553

SCHEMBL4599553

COc1c(F)cc(Br)cc1C=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 9/20 0.50
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.35

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
SCHEMBL30673247 1.00 ERN1 (0.50) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL30903833 0.82 ALDH1A1 (0.45) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL1186103 0.81 ERN1 (0.52) ERN1ALDH1A1PRKDCKDM4ETSHR
SCHEMBL1071145 0.81 ERN1 (0.53) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL29951095 0.81 ERN1 (0.52) ERN1ALDH1A1PRKDCKDM4ETSHR
SCHEMBL22216884 0.81 LMNA (0.47) ERN1ALDH1A1CYP1A2CYP2C19TSHR
SCHEMBL16595970 0.81 ERN1 (0.39) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL10986 0.80 CA2 (0.41) TDP1CA2HSD17B10KMT2ATUBB1
SCHEMBL22216903 0.79 ERN1 (0.51) ERN1ALDH1A1CYP1A2CYP2C19PRKDC
SCHEMBL127848 0.79 ERN1 (0.66) ERN1ALDH1A1CYP1A2CYP2C19PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250346593-A1 IMIDAZO(1,2-1)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC (US) 2025-11-13 — — US disclosed
CN-119698416-A Imidazo (1, 2-A) pyridine derivatives as RIPK2 inhibitors 英特莱治疗公司 2025-03-25 — — CN disclosed
EP-4518974-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS Interline Therapeutics, Inc. (US) 2025-03-12 — — EP disclosed
WO-2024254537-A1 METHODS OF TREATING INFLAMMATORY DISEASES INTERLINE THERAPEUTICS, INC. (US) 2024-12-12 — — WO disclosed
CN-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 — — CN disclosed
WO-2023239941-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC. (US) 2023-12-14 — — WO disclosed
WO-2023239941-A1 IMIDAZO(1,2-A)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS INTERLINE THERAPEUTICS INC. (US) 2023-12-14 — — WO disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 — — EP disclosed
EP-3861001-B1 BORON CONTAINING PDE4 INHIBITORS PFIZER (US) 2023-12-13 — — EP disclosed
US-20230148402-A1 Boron Containing PDE4 Inhibitors PFIZER INC. (US) 2023-05-11 — — US disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 — — WO disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 — — US disclosed
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 — — EP disclosed
US-7244861-B2 Benzene compound and salt thereof EISAI CO., LTD. (JP) 2007-07-17 — — US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 — — US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 — — WO disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — WO disclosed
US-20040138271-A1 Benzene compound and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1375472-A1 BENZENE COMPOUND AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-02 — — 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 (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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885ALDH1A1 915/4885CYP1A2 1663/4885
US-20040138271-A1 Benzene compound and salt thereof INSR, SLC5A1, IRS1 ERN1 2495/4885ALDH1A1 1736/4885CYP1A2 1307/4885
US-20250346593-A1 IMIDAZO(1,2-1)PYRIDINE DERIVATIVES AS RIPK2 INHIBITORS RIPK2, RIPK1, RIPK4 ERN1 246/4885ALDH1A1 3792/4885CYP1A2 2872/4885
US-20230148402-A1 Boron Containing PDE4 Inhibitors PDE4B, PDE4A, PDE3B ERN1 3340/4885ALDH1A1 1423/4885CYP1A2 1070/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO ERN1 3361/4885ALDH1A1 711/4885CYP1A2 24/4885

“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.

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