SCHEMBL360882

SCHEMBL360882

CC(CNC(=O)O)C1=NN(CCC2CCCCC2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 2/20 0.38
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KLK7 P49862 1/20 0.33
LIPE Q05469 1/20 0.33
NAAA Q02083 2/20 0.33
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR4 Q13639 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL359943 0.99 KMT2A (0.39) MEN1KMT2ARORCALDH1A1TP53
SCHEMBL360054 0.90 KMT2A (0.36) MEN1KMT2ARORCALDH1A1NPC1
SCHEMBL360686 0.88 KMT2A (0.35) MEN1KMT2AALDH1A1SMN1; SMN2LIPE
SCHEMBL15344580 0.79 RORC (0.32) MEN1KMT2ARORCALDH1A1NPC1
SCHEMBL15344579 0.79 RORC (0.36) MEN1KMT2ARORCALDH1A1TP53
SCHEMBL360883 0.78 ALDH1A1 (0.36) MEN1KMT2ARORCALDH1A1TP53
SCHEMBL15344542 0.78 RORC (0.35) MEN1KMT2ARORCALDH1A1TP53
SCHEMBL15344543 0.78 RORC (0.31) MEN1KMT2ARORCKLK7
SCHEMBL359944 0.77 KMT2A (0.35) MEN1KMT2ARORCALDH1A1NPC1
SCHEMBL15344581 0.75 RORC (0.32) MEN1KMT2ARORCALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312688-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-26 US disclosed
US-20200308119-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2020-10-01 US disclosed
US-10723703-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-07-28 US disclosed
US-20190084938-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2019-03-21 US disclosed
US-10183913-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2019-01-22 US disclosed
US-10087146-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-10-02 US disclosed
US-20180273489-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2018-09-27 US disclosed
US-20170217902-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2017-08-03 US disclosed
US-9663472-B2 Pyrazole compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-05-30 US disclosed
EP-2594559-B1 PYRAZOLE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-24 EP disclosed
US-20140315971-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2014-10-23 US disclosed
US-8809383-B2 Pyrazole compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-08-19 US disclosed
US-20140031406-A1 PYRAZOLE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-01-30 US disclosed
EP-2594559-A1 PYRAZOLE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116296-A1 PYRAZOLE COMPOUND NEUROINNOVATECH APS (DK) 2013-05-09 US disclosed
WO-2012008528-A1 PYRAZOLE COMPOUND 大日本住友製薬株式会社 (JP) 2012-01-19 WO 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 (11 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-20140315971-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-10183913-B2 Pyrazole compound HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-20170217902-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-11312688-B2 Pyrazole compound HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-20130116296-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-20200308119-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-10723703-B2 Pyrazole compound HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-20180273489-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-20190084938-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-10087146-B2 Pyrazole compound HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885
US-20140031406-A1 PYRAZOLE COMPOUND HTR2C, HTR3B, HTR3A MEN1 3975/4885KMT2A 2238/4885RORC 657/4885

“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.