Sugi Predict

Sugi Predict / Compounds / SCHEMBL82562

SCHEMBL82562

SCHEMBL82562

Cc1ccc(N2CCNC(C)(C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 3/20 0.56
▸ AURKA O14965 8/20 0.39
▸ FLT3 P36888 8/20 0.39
▸ AURKB Q96GD4 8/20 0.39
▸ CDK4 P11802 3/20 0.39
▸ CCND1 P24385 3/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ CSNK1E P49674 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CDK6 Q00534 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL16580827 0.84 MAPT (0.46) ADRB1AURKAFLT3AURKBLATS1
SCHEMBL15416388 0.84 CSNK1E (0.45) ADRB1AURKAFLT3AURKBCSNK1E
SCHEMBL17513734 0.84 ADRB1 (0.55) ADRB1AURKAFLT3AURKBCDK4
SCHEMBL19035611 0.84 HTR3E (0.52) ADRB1CSNK1ELATS1SIGMAR1HTR7
Hydrochloric Acid SCHEMBL6367433 0.83 ADRB1 (0.53) ADRB1AURKAFLT3AURKBCDK4
SCHEMBL22914763 0.81 KDM4E (0.47) ADRB1AURKAFLT3AURKBCDK4
SCHEMBL11961574 0.81 ADRB1 (0.55) ADRB1MAPTSIGMAR1HTR7HTR2B
SCHEMBL17513741 0.80 EIF2AK4 (0.47) ADRB1AURKAFLT3AURKBLATS1
SCHEMBL5727087 0.79 SIRT6 (0.62) ADRB1MAPTHTR7MEN1KMT2A
SCHEMBL4573852 0.79 KDM4E (0.43) MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021055627-A1 SUBSTITUTED N-HETEROCYCLIC CARBOXAMIDES AS ACID CERAMIDASE INHIBITORS AND THEIR USE AS MEDICAMENTS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 — — WO disclosed
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 — — US disclosed
EP-3083625-B1 PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS ALMAC DISCOVERY LTD (GB) 2017-11-01 — — EP disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 — — 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-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-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
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-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-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
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
EP-1226159-A1 SUBSTITUTED DIPEPTIDES HAVING NOS INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-31 — — EP disclosed
WO-2001032690-A1 SUBSTITUTED DIPEPTIDES HAVING NOS INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-10 — — 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 (6 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 ADRB1 1409/4885AURKA 1696/4885FLT3 2071/4885
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 ADRB1 2033/4885AURKA 555/4885FLT3 510/4885
US-20140066455-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ADRB1 917/4885AURKA 1437/4885FLT3 1848/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ADRB1 3030/4885AURKA 67/4885FLT3 438/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ADRB1 917/4885AURKA 1437/4885FLT3 1848/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 ADRB1 917/4885AURKA 1437/4885FLT3 1848/4885

“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.