SCHEMBL62904

SCHEMBL62904

CN1CCN(c2ccc(C(N)=O)nn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 5/20 0.46
GLA P06280 1/20 0.46
HTT P42858 1/20 0.46
NNMT P40261 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
RAB9A P51151 1/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CYP1A2 P05177 1/20 0.41
THPO P40225 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40

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
SCHEMBL64557 0.85 NPC1 (0.47) PARP1NPC1KDM4EHTTALDH1A1
SCHEMBL11636961 0.85 CYP1A2 (0.49) PARP1NPC1KDM4EHTTNNMT
SCHEMBL11635317 0.83 CYP1A2 (0.51) PARP1NPC1KDM4EHTTNNMT
SCHEMBL62906 0.81 KMT2A (0.48) PARP1NPC1KDM4EALDH1A1RAB9A
SCHEMBL11641086 0.81 CNR2 (0.55) KDM4EHTTALDH1A1HSD17B10RAB9A
SCHEMBL29942240 0.81 BPTF (0.54) KDM4EHTTNNMTALDH1A1HSD17B10
1,4-Dichlorobenzene SCHEMBL27654403 0.79 RAB9A (0.49) NPC1KDM4EHTTALDH1A1HSD17B10
SCHEMBL937452 0.79 NPC1 (0.43) PARP1NPC1KDM4EALDH1A1RAB9A
SCHEMBL4441425 0.78 DCTPP1 (0.50) NPC1KDM4EALDH1A1RAB9A
SCHEMBL15652284 0.77 HTR3A (0.58) PARP1KDM4EGLAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20140066455-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2014-03-06 US disclosed
US-8604022-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1h-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2013-12-10 US disclosed
CN-101611014-B Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB 2012-05-30 CN disclosed
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF ASTRAZENECA AB 2012-05-24 US disclosed
US-8129391-B2 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2012-03-06 US disclosed
EP-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
CN-101611014-A Amidopyrazoles as FGFR inhibitors ASTRAZENECA AB (SE) 2009-12-23 CN disclosed
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-4104385-A Cyclic alkylidenyl N-[6-(amino)-3-pyridazinyl]aminomethylenemalonates STERLING DRUG INC. (US) 1978-08-01 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 (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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 PARP1 2393/4885NPC1 52/4885KDM4E 2865/4885
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PARP1 996/4885NPC1 529/4885KDM4E 263/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 PARP1 2368/4885NPC1 20/4885KDM4E 3393/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PARP1 651/4885NPC1 608/4885KDM4E 1889/4885
US-20120129844-A1 N-[5-[2-(3,5-DIMETHOXYPHENYL)ETHYL]-1H-PYRAZOL-3-YL]-4-(3,4-DIMETHYLPIPERAZIN-1-YL)BENZAMIDE AND SALTS THEREOF PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PARP1 996/4885NPC1 529/4885KDM4E 263/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 PARP1 2368/4885NPC1 20/4885KDM4E 3393/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 PARP1 2368/4885NPC1 20/4885KDM4E 3393/4885

“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.