SCHEMBL3092769

SCHEMBL3092769

CCOC(=O)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GALR2 O43603 1/20 0.52
MITF O75030 1/20 0.52
HSP90AA1 P07900 1/20 0.52
XBP1 P17861 1/20 0.52
CCR6 P51684 1/20 0.52
TSHR P16473 3/20 0.50
KMT2A Q03164 2/20 0.47
RAB9A P51151 2/20 0.46
LGALS3 P17931 1/20 0.46
LGALS4 P56470 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46

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
SCHEMBL31391703 1.00 MAPT (0.55) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8991922 0.88 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL16529634 0.85 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2LMNAPOLB
Dimethylamine SCHEMBL9346894 0.85 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL3514864 0.85 TSHR (0.49) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL26604900 0.84 MEN1 (0.52) MAPTHSP90AA1KMT2APKMMEN1
SCHEMBL16144687 0.84 MAPT (0.51) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6422578 0.84 KMT2A (0.65) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL2126420 0.84 CA12 (0.62) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL6750268 0.84 SMN1; SMN2 (0.65) MAPTALDH1A1SMN1; SMN2LMNAPOLB

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 11 patents. 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
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
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
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 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 (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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 MAPT 4761/4885ALDH1A1 700/4885SMN1; SMN2 3153/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO MAPT 4363/4885ALDH1A1 1225/4885SMN1; SMN2 2804/4885
US-20220298143-A1 Pyrazole Derivatives for FGFR Inhibitor and Preparation Method Thereof FGFR1, FGFR2, FGFR3 MAPT 3854/4885ALDH1A1 322/4885SMN1; SMN2 4532/4885

“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.