SCHEMBL8920036

SCHEMBL8920036

Cn1cc([N+](=O)[O-])c(N)n1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MITF O75030 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8150178 0.81 TDP1 (0.39) MAPTALDH1A1POLBL3MBTL1TSHR
SCHEMBL18131173 0.80 ALDH1A1 (0.40) MAPTALDH1A1POLBL3MBTL1PKM
SCHEMBL18131176 0.79 ALDH1A1 (0.51) MAPTALDH1A1POLBLMNAKDM4E
SCHEMBL18131195 0.79 ADORA2A (0.38) MAPTALDH1A1POLBPKMLMNA
SCHEMBL2760410 0.78 MAPT (0.47) MAPTALDH1A1POLBL3MBTL1PKM
SCHEMBL12335522 0.78 ALDH1A1 (0.47) MAPTALDH1A1POLBL3MBTL1LMNA
SCHEMBL30137920 0.78 MAPT (0.51) MAPTALDH1A1POLBL3MBTL1LMNA
SCHEMBL16698871 0.77 MAPT (0.46) MAPTALDH1A1POLBL3MBTL1LMNA
SCHEMBL2067197 0.77 L3MBTL1 (0.47) MAPTALDH1A1POLBL3MBTL1LMNA
SCHEMBL14401140 0.77 MAPT (0.46) MAPTALDH1A1POLBL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317767-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2024-09-26 US disclosed
US-12024523-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ASTRAZENECA AB (SE) 2024-07-02 US disclosed
US-20230219967-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2023-07-13 US disclosed
US-11691978-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ASTRAZENECA AB (SE) 2023-07-04 US disclosed
CN-111278823-B Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2023-01-24 CN disclosed
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-01-17 US disclosed
US-20220348573-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-11-03 US disclosed
EP-3524603-B1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF ABBISKO THERAPEUTICS CO LTD (CN) 2022-06-08 EP disclosed
US-20210355127-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2021-11-18 US disclosed
CN-110857300-B Condensed ring triazole compounds, preparation method and application 上海凌达生物医药有限公司 2021-11-05 CN disclosed
WO-2016144849-A1 THIENOPYRAZINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
WO-2016144847-A1 PYRROLOPYRIDAZINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
WO-2016144848-A1 PYRROLOTRIAZINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
WO-2016144846-A1 PYRAZOLOPYRIMIDINE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 WO disclosed
US-5663366-A Process for the synthesis of 4,5-diaminopyrazole derivatives useful for dyeing hair WELLA AKTIENGESELLSCHAT (DE) 1997-09-02 US disclosed
US-5534267-A Composition for the oxidative dyeing of hair containing 4,5-diaminopyrazole derivatives as well as new 4,5-diaminopyrazole derivatives and process for their synthesis WELLA AKTIENGESELLSCHAFT (DE) 1996-07-09 US disclosed
EP-0375977-B1 Oxidation hairdyeing composition based upon diaminopyrazole derivatives, and these diaminopyrazole derivatives WELLA AG (DE) 1994-02-02 EP disclosed
US-5061289-A AS DEVELOPERS WELLA AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed
WO-1990007504-A1 OXIDATION HAIR-DYEING AGENT CONTAINING DIAMINOPYRAZOLE DERIVATIVES AND NOVEL DIAMINOPYRAZOLE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 WO disclosed
EP-0375977-A1 Oxidation hairdyeing composition based upon diaminopyrazole derivatives, and these diaminopyrazole derivatives Wella Aktiengesellschaft (DE) 1990-07-04 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 (7 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-20210355127-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 MAPT 4838/4885ALDH1A1 545/4885POLB 1931/4885
US-11691978-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ALOX5, LIPG, ALOX15 MAPT 4838/4885ALDH1A1 545/4885POLB 1931/4885
US-20220348573-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF FGFR4, FGFR2, FGFR1 MAPT 2738/4885ALDH1A1 758/4885POLB 4085/4885
US-11555036-B2 FGFR4 inhibitor, preparation method therefor and pharmaceutical use thereof FGFR4, FGFR2, FGFR1 MAPT 2652/4885ALDH1A1 927/4885POLB 4011/4885
US-20230219967-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 MAPT 4838/4885ALDH1A1 545/4885POLB 1931/4885
US-20240317767-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 MAPT 4838/4885ALDH1A1 545/4885POLB 1931/4885
US-12024523-B2 Pyrazole derivatives useful as 5-lipoxygenase activating protein (FLAP) inhibitors ALOX5, LIPG, ALOX15 MAPT 4838/4885ALDH1A1 545/4885POLB 1931/4885

“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.