Sugi Predict

Sugi Predict / Compounds / SCHEMBL3158673

SCHEMBL3158673

SCHEMBL3158673

Nc1ccc(CN2CCC(O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.61
▸ LMNA P02545 1/20 0.58
▸ RAB9A P51151 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ NPC1 O15118 1/20 0.55
▸ SIGMAR1 Q99720 1/20 0.55
▸ HRH3 Q9Y5N1 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ ACHE P22303 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GBA1 P04062 2/20 0.50
▸ LTA4H P09960 2/20 0.49
▸ GAA P10253 1/20 0.47

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
SCHEMBL27569958 0.95 HRH3 (0.57) ALDH1A1LMNARAB9AMEN1CYP2D6
SCHEMBL188289 0.89 ALDH1A1 (0.57) ALDH1A1LMNARAB9AMEN1CYP2D6
SCHEMBL3935123 0.89 ALDH1A1 (0.57) ALDH1A1LMNARAB9AMEN1CYP2D6
SCHEMBL3935867 0.89 ALDH1A1 (0.57) ALDH1A1LMNARAB9AMEN1CYP2D6
SCHEMBL2485926 0.85 ALDH1A1 (0.56) ALDH1A1RAB9AMEN1CYP2D6KMT2A
SCHEMBL6235158 0.84 ACHE (0.52) ALDH1A1RAB9AMEN1CYP2D6KMT2A
SCHEMBL3181878 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2ASIGMAR1
SCHEMBL12642582 0.83 RAB9A (0.60) ALDH1A1RAB9AMEN1CYP2D6KMT2A
SCHEMBL4267786 0.83 ALDH1A1 (0.63) ALDH1A1LMNASIGMAR1HRH3LTA4H
SCHEMBL4141085 0.83 ALDH1A1 (0.60) ALDH1A1RAB9AMEN1CYP2D6KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 — — US claimed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 — — US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 — — US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 — — US claimed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 — — WO claimed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 — — EP disclosed
EP-2585470-B1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO LTD (KR) 2017-01-25 — — EP disclosed
EP-2975042-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY Boehringer Ingelheim International GmbH (DE) 2016-01-20 — — EP disclosed
US-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 — — US disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 — — EP disclosed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 — — US disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 — — EP disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 — — EP disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 — — US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 — — EP disclosed
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 — — WO disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 — — EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 — — US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 — — WO disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 — — 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 (2 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-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 ALDH1A1 2543/4885LMNA 2852/4885RAB9A 2110/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 ALDH1A1 924/4885LMNA 3244/4885RAB9A 634/4885

“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.