SCHEMBL3234489

SCHEMBL3234489

Nc1ccc(NCCCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 2/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ RAD52 P43351 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 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
SCHEMBL3222264 0.90 CD274 (0.55) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL2926393 0.89 SIGMAR1 (0.46) HTTGSK3AGSK3BLMNA
Hydrochloric Acid SCHEMBL5456335 0.87 SIGMAR1 (0.45) HTTGSK3AGSK3BLMNA
SCHEMBL8243016 0.86 LMNA (0.58) NPC1RAB9AKMT2AMEN1HTT
SCHEMBL3988708 0.85 BACE1 (0.50) ALDH1A1
SCHEMBL19623580 0.84 RAD52 (0.53) NPC1RAB9AKMT2AMEN1RAD52
SCHEMBL1955959 0.84 NPC1 (0.51) NPC1RAB9AKMT2AMEN1RAD52
Hydrochloric Acid SCHEMBL4808510 0.84 BACE1 (0.49) ALDH1A1
SCHEMBL1292252 0.84 KMT2A (0.63) NPC1RAB9AKMT2AMEN1RAD52
SCHEMBL3576656 0.83 LMNA (0.51) RAB9AKMT2AKDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 — — EP claimed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US claimed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 — — EP claimed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 — — EP disclosed
EP-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 — — EP disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 — — EP disclosed
US-7414054-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-08-19 — — US disclosed
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-08-31 — — US disclosed
US-7098236-B2 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-08-29 — — US disclosed
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-03-23 — — US disclosed
US-7015220-B2 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-03-21 — — US disclosed
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-02-02 — — US disclosed
US-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2005-10-13 — — US disclosed
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ANDREWS STEVEN W (US) 2004-10-07 — — US disclosed
US-6765012-B2 FOR MODULATING TYROSINE KINASE SIGNAL TRANSDUCTION IN ORDER TO REGULATE, MODULATE AND/OR INHIBIT ABNORMAL CELL PROLIFERATION ALLERGAN, INC. 2004-07-20 — — US disclosed
EP-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 — — EP disclosed
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-12-04 — — US disclosed
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-10-23 — — US disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 — — 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 (8 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-20050228036-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885KMT2A 958/4885
US-20030199478-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885KMT2A 958/4885
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 NPC1 2269/4885RAB9A 962/4885KMT2A 2799/4885
US-20060194863-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885KMT2A 958/4885
US-20060025413-A1 3-(arylamino)methylene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885KMT2A 958/4885
US-20060063940-A1 3-(arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885KMT2A 958/4885
US-20030225152-A1 3-(Arylamino)methylene-1, 3-dihydro-2h-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885KMT2A 958/4885
US-20040198720-A1 3-(Arylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 4010/4885RAB9A 2631/4885KMT2A 958/4885

“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.

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