Sugi Predict

Sugi Predict / Compounds / SCHEMBL3206091

SCHEMBL3206091

SCHEMBL3206091

CN1CCN(CCOc2cccc(N)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ LTA4H P09960 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.54
▸ TSHR P16473 1/20 0.53
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ BACE1 P56817 1/20 0.50
▸ GAA P10253 1/20 0.49

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
SCHEMBL12005680 0.93 HRH3 (0.63) KMT2AMEN1LTA4HKDM4EALDH1A1
SCHEMBL264157 0.88 LTA4H (0.81) LTA4HSMN1; SMN2LMNAMAPK1HTT
SCHEMBL3209561 0.86 LTA4H (0.79) LTA4HSMN1; SMN2LMNAMAPK1HTT
SCHEMBL3216190 0.86 LTA4H (0.79) LTA4HSMN1; SMN2LMNAMAPK1HTT
SCHEMBL28142884 0.86 LTA4H (0.59) KMT2AMEN1LTA4HSMN1; SMN2LMNA
SCHEMBL3209535 0.84 KDM4E (0.62) KMT2AMEN1LTA4HSMN1; SMN2LMNA
SCHEMBL14320388 0.84 LTA4H (0.63) KMT2AMEN1LTA4HSMN1; SMN2LMNA
SCHEMBL521854 0.84 LTA4H (0.63) LTA4HSMN1; SMN2LMNAMAPK1HTT
SCHEMBL12810770 0.83 KMT2A (0.69) KMT2AMEN1LTA4HSMN1; SMN2LMNA
SCHEMBL7954345 0.82 KMT2A (0.68) KMT2AMEN1LTA4HSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199589-A1 PYRIMIDINE DERIVATIVES 南京明德新药研发有限公司 2022-09-29 — — WO disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
EP-2543376-A1 Benzotriazine inhibitors of kinases Targegen, Inc. (US) 2013-01-09 — — EP disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 — — US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 — — US disclosed
EP-2247591-A1 PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-11-10 — — EP disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 — — US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO disclosed
WO-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 — — WO disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 — — US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 — — 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 KMT2A 3012/4885MEN1 3222/4885LTA4H 2174/4885
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP KMT2A 2222/4885MEN1 3138/4885LTA4H 4063/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP KMT2A 2222/4885MEN1 3138/4885LTA4H 4063/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 KMT2A 1885/4885MEN1 246/4885LTA4H 2746/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 KMT2A 2543/4885MEN1 3023/4885LTA4H 1982/4885

“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.