SCHEMBL63547

SCHEMBL63547

COc1cc(CCc2cc(N)[nH]n2)cc(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
FGFR3 P22607 6/20 0.43
CALM1 P0DP23 3/20 0.41
AKR1B1 P15121 1/20 0.41
FGFR1 P11362 7/20 0.41
KDR P35968 1/20 0.41
DAO P14920 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FGFR2 P21802 6/20 0.40
DHFR P00374 1/20 0.39

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
SCHEMBL23060197 0.90 CYP19A1 (0.43) CYP19A1FGFR3CALM1AKR1B1FGFR1
SCHEMBL3936196 0.86 TAAR1 (0.47) CYP19A1CALM1DAOALDH1A1DHFR
SCHEMBL63824 0.85 TAAR1 (0.54) DAODHFR
SCHEMBL4010043 0.82 FGFR1 (0.47) CYP19A1FGFR3FGFR1ALDH1A1HPGD
SCHEMBL19848825 0.78 FGFR1 (0.43) CYP19A1FGFR3CALM1AKR1B1FGFR1
SCHEMBL16234207 0.76 AKR1B1 (0.48) CYP19A1FGFR3CALM1AKR1B1FGFR1
SCHEMBL63314 0.75 ADRA1A (0.55) ALDH1A1HSD17B10DHFR
SCHEMBL64323 0.75 KMT2A (0.49) ALDH1A1HPGD
SCHEMBL1922681 0.74 CYP19A1 (0.51) CYP19A1FGFR3FGFR1KDRDAO
SCHEMBL22636476 0.74 ALDH1A1 (0.47) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728910-B Pyrazole derivative for FGFR inhibitor and preparation method thereof 上海奕拓医药科技有限责任公司 2024-05-14 CN disclosed
CN-115819239-A Intermediate of fibroblast growth factor receptor inhibitor and preparation method and application thereof 无锡和誉生物医药科技有限公司 2023-03-21 CN disclosed
US-20220298143-A1 Pyrazole Derivatives for FGFR Inhibitor and Preparation Method Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2022-09-22 US disclosed
CN-114728910-A Pyrazole derivatives for FGFR inhibitor and preparation method thereof 上海奕拓医药科技有限责任公司 2022-07-08 CN disclosed
EP-4023639-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR Etern Biopharma (Shanghai) Co., Ltd. (CN) 2022-07-06 EP disclosed
EP-4023639-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR Etern Biopharma (Shanghai) Co., Ltd. (CN) 2022-07-06 EP disclosed
CN-112441980-A Pyrazole derivatives for FGFR inhibitor and preparation method thereof 上海奕拓医药科技有限责任公司 2021-03-05 CN disclosed
WO-2021037219-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR 上海奕拓医药科技有限责任公司 2021-03-04 WO disclosed
WO-2021037219-A1 PYRAZOLE DERIVATIVE FOR FGFR INHIBITOR AND PREPARATION METHOD THEREFOR 上海奕拓医药科技有限责任公司 2021-03-04 WO disclosed
CN-111936470-A Amidopyrazoles useful as FGFR irreversible inhibitors 中国科学院上海有机化学研究所 2020-11-13 CN disclosed
WO-2009153592-A1 PYRAZOLE COMPOUNDS 436 ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
WO-2009153592-A1 PYRAZOLE COMPOUNDS 436 ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2009019518-A1 PYRIMIDINE COMPOUNDS HAVING A FGFR INHIBITORY EFFECT ASTRAZENECA AB (SE) 2009-02-12 WO disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (3 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-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP19A1 241/4885FGFR3 773/4885CALM1 1644/4885
US-20220298143-A1 Pyrazole Derivatives for FGFR Inhibitor and Preparation Method Thereof FGFR1, FGFR2, FGFR3 CYP19A1 101/4885FGFR3 3/4885CALM1 2088/4885
US-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 CYP19A1 87/4885FGFR3 2897/4885CALM1 3653/4885

“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.