SCHEMBL81667

SCHEMBL81667

Cc1ccc(N2CCCC(C)(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MCL1 Q07820 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 7/20 0.41
CYP2C19 P33261 5/20 0.41
HIF1A Q16665 3/20 0.41
ALDH1A1 P00352 8/20 0.40
USP2 O75604 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 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
SCHEMBL6606547 0.84 ALDH1A1 (0.53) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4347686 0.81 ALDH1A1 (0.51) KMT2ASMN1; SMN2MEN1RAB9AMAPT
SCHEMBL19000983 0.81 MAPT (0.43) KMT2ASMN1; SMN2MEN1NPC1MAPT
SCHEMBL12082263 0.80 ADRB1 (0.43) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL12683576 0.80 TP53 (0.47) SMN1; SMN2KDM4ECYP3A4CYP2C19HIF1A
SCHEMBL13070202 0.80 L3MBTL1 (0.50) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL2952188 0.80 USP2 (0.51) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL15115344 0.80 CYP3A4 (0.44) KMT2AMEN1CYP3A4HIF1AUSP2
SCHEMBL6608147 0.78 MAPT (0.63) SMN1; SMN2MAPTLMNAADRB1ALDH1A1
SCHEMBL2946757 0.76 HPGD (0.51) KMT2ASMN1; SMN2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
EP-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 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 (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-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 KMT2A 602/4885SMN1; SMN2 542/4885MEN1 136/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 1086/4885SMN1; SMN2 2353/4885MEN1 507/4885
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 KMT2A 602/4885SMN1; SMN2 542/4885MEN1 136/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 KMT2A 3318/4885SMN1; SMN2 1841/4885MEN1 63/4885

“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.