Sugi Predict

Sugi Predict / Compounds / SCHEMBL12832005

SCHEMBL12832005

SCHEMBL12832005

Cc1ccc2nc(C)c(C)n2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 1/20 0.51
▸ CYP11B1 P15538 1/20 0.50
▸ CYP11B2 P19099 1/20 0.50
▸ MAP3K14 Q99558 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TP53 P04637 2/20 0.44
▸ USP7 Q93009 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ PARP1 P09874 1/20 0.41

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
SCHEMBL975608 0.79 GAA (0.58) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL13036621 0.79 ALDH1A1 (0.54) MAP3K14SMN1; SMN2TP53KDM4EALDH1A1
SCHEMBL15910846 0.79 MAP3K14 (0.40) COMTCYP11B1CYP11B2MAP3K14USP7
SCHEMBL9925348 0.79 CYP11B1 (0.53) CYP11B1CYP11B2GAA
SCHEMBL7998877 0.79 MCHR1 (0.36) COMTCYP11B1CYP11B2MAP3K14SMN1; SMN2
SCHEMBL24242342 0.76 CYP11B1 (0.45) COMTCYP11B1CYP11B2MAP3K14SMN1; SMN2
SCHEMBL12811142 0.76 MCHR1 (0.40) COMTCYP11B1CYP11B2SMN1; SMN2TP53
SCHEMBL21849004 0.76 COMT (0.46) COMTCYP11B1CYP11B2MAP3K14SMN1; SMN2
SCHEMBL20356291 0.76 COMT (0.46) COMTCYP11B1CYP11B2MAP3K14SMN1; SMN2
SCHEMBL12758864 0.76 TP53 (0.37) COMTCYP11B1CYP11B2MAP3K14SMN1; SMN2

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
WO-2023178234-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 — — WO disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 — — WO disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 — — US disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 — — US disclosed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 — — WO disclosed
US-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MSD K.K. (JP) 2011-03-24 — — US disclosed
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 — — US disclosed
US-7867629-B2 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2011-01-11 — — US disclosed
WO-2009154132-A1 SPIRODIAMINE-DIARYLKETOXIME DERIVATIVE 萬有製薬株式会社 (JP) 2009-12-23 — — WO disclosed
US-7615639-B2 1-pyridyl-benzofuro[3,2-b]pyridin-2(1H)-ones TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-10 — — US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 — — US disclosed
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-11-15 — — US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 — — US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 — — US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 — — US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 — — 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 (5 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-20110071129-A1 SPIRODIAMINE-DIARYL KETOXIME DERIVATIVE MCHR2, MCHR1, ADRB2 COMT 101/4885CYP11B1 30/4885CYP11B2 21/4885
US-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP COMT 1058/4885CYP11B1 1168/4885CYP11B2 1579/4885
US-20070265295-A1 1-Heterocyclyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CBR1, HRH4, CYP4B1 COMT 1996/4885CYP11B1 77/4885CYP11B2 39/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 COMT 55/4885CYP11B1 1907/4885CYP11B2 1801/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR COMT 2553/4885CYP11B1 5/4885CYP11B2 9/4885

“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.