SCHEMBL3299372

SCHEMBL3299372

CCOC(=O)c1cc(C)n(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.68
GAA P10253 1/20 0.68
MAPT P10636 4/20 0.64
TP53 P04637 4/20 0.61
TDP1 Q9NUW8 2/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
THRB P10828 1/20 0.59
LMNA P02545 1/20 0.59
PDE4D Q08499 1/20 0.58
CA9 Q16790 1/20 0.57
ALOX12 P18054 1/20 0.55

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
SCHEMBL6763715 0.92 CA9 (0.61) KMT2AGAAMAPTTP53TDP1
SCHEMBL18017546 0.90 KMT2A (0.57) KMT2AGAAMAPTTP53TDP1
SCHEMBL7268 0.88 KMT2A (0.68) KMT2AGAAMAPTTP53TDP1
SCHEMBL20788482 0.87 MAPT (0.58) KMT2AGAAMAPTTP53TDP1
SCHEMBL20028497 0.87 KMT2A (0.53) KMT2AGAAMAPTTP53TDP1
SCHEMBL28625965 0.87 KMT2A (0.67) KMT2AGAAMAPTTP53TDP1
SCHEMBL20502190 0.87 KMT2A (0.60) KMT2AGAAMAPTTP53TDP1
SCHEMBL22896893 0.86 KMT2A (0.65) KMT2AGAAMAPTTP53TDP1
SCHEMBL5676831 0.86 CHRNA7 (0.61) KMT2AGAAMAPTTP53MEN1
SCHEMBL5340205 0.86 CHRNA7 (0.61) KMT2AGAAMAPTTP53TDP1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113480522-A Novel phenylpyrazole derivative and application thereof in hypoglycemic drugs 守恒(厦门)医疗科技有限公司 2021-10-08 CN disclosed
CN-111320606-B Benzopyrazolo ring derivatives and application thereof in antitumor drugs 安徽实特医药科技有限公司 2021-07-27 CN disclosed
CN-111333629-B phenyl-1H-pyrazole derivatives and application thereof in antitumor drugs 颜建发 2021-03-05 CN disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
CN-111333629-A phenyl-1H-pyrazole derivatives and application thereof in antitumor drugs 颜建发 2020-06-26 CN disclosed
CN-111320606-A Benzopyrazolo ring derivatives and application thereof in antitumor drugs 颜建发 2020-06-23 CN disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
US-4389406-A ANTHELMINTICS BEECHAM GROUP LIMITED (GB) 1983-06-21 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 (4 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 KMT2A 3296/4885GAA 3209/4885MAPT 4713/4885
US-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 KMT2A 4418/4885GAA 616/4885MAPT 562/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 KMT2A 4469/4885GAA 751/4885MAPT 330/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 KMT2A 1636/4885GAA 3637/4885MAPT 1118/4885

“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.