Sugi Predict

Sugi Predict / Compounds / SCHEMBL465754

SCHEMBL465754

SCHEMBL465754

Nc1ccnc(N2CCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.57
▸ GRIN3B O60391 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ ADRA1D P25100 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ ADRA1B P35368 1/20 0.57
▸ GRIN1 Q05586 1/20 0.57
▸ GRIN2A Q12879 1/20 0.57
▸ GRIN2B Q13224 1/20 0.57
▸ GRIN2C Q14957 1/20 0.57
▸ GRIN3A Q8TCU5 1/20 0.57
▸ HRH4 Q9H3N8 3/20 0.51
▸ OPRD1 P41143 11/20 0.50
▸ KCNH2 Q12809 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL17095658 0.98 GRIN2D (0.55) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL30988524 0.98 GRIN2D (0.55) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL1811254 0.96 GRIN2D (0.57) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL2378294 0.83 HRH4 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL28978587 0.83 GRIN2D (0.53) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL30441864 0.83 PIK3CA (0.58) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL1557331 0.83 HRH3 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL247194 0.83 PIK3CA (0.58) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL30349346 0.83 HRH4 (0.60) GRIN2DGRIN3BCHRM1ADRA1DADRA1A
SCHEMBL25308560 0.80 OPRD1 (0.57) GRIN2DGRIN3BCHRM1ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO claimed
US-20260116870-A1 NOVEL NAV 1.1 POTENTIATORS BOEHRINGER INGELHEIM INT (DE) 2026-04-30 — — US disclosed
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-06-02 — — US disclosed
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof SAMUMED, LLC (US) 2020-06-02 — — US disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 — — EP disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2018-05-10 — — US disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — WO disclosed
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-28 — — US disclosed
EP-1878727-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-16 — — EP disclosed
EP-1878727-A1 2-AMINOQUINAZOLINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-16 — — EP disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG GRIN2D 3118/4885GRIN3B 2635/4885CHRM1 3654/4885
US-20090137583-A1 2-AMINOQUINAZOLINE DERIVATIVES SLC7A1, SLC38A7, PRMT7 GRIN2D 1436/4885GRIN3B 704/4885CHRM1 111/4885
US-20180127377-A1 5-SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, WNT1 GRIN2D 4470/4885GRIN3B 4268/4885CHRM1 3220/4885
US-20260116870-A1 NOVEL NAV 1.1 POTENTIATORS SCN1B, SCN1A, CACNA1B GRIN2D 148/4885GRIN3B 172/4885CHRM1 754/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRIN2D 4241/4885GRIN3B 3817/4885CHRM1 4264/4885
US-10669240-B2 5-substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, WNT1 GRIN2D 4470/4885GRIN3B 4268/4885CHRM1 3220/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG GRIN2D 3118/4885GRIN3B 2635/4885CHRM1 3654/4885

“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.