SCHEMBL1961769

SCHEMBL1961769

COc1cc(OCCN(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNA4 P43681 1/20 0.57
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 5/20 0.48
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL1962847 0.93 KMT2A (0.49) CHRNB2CHRNA4KMT2AKDM4EGAA
SCHEMBL1965344 0.89 RAB9A (0.53) CHRNB2CHRNA4KMT2AKDM4EGAA
SCHEMBL1780419 0.88 CHRNB2 (0.56) CHRNB2CHRNA4KMT2AKDM4EGAA
SCHEMBL2976365 0.86 MAPT (0.50) KMT2ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1963656 0.85 CHRNB2 (0.53) CHRNB2CHRNA4KMT2AKDM4EGAA
SCHEMBL1962192 0.84 CHRNB2 (0.59) CHRNB2CHRNA4KMT2AKDM4EGAA
SCHEMBL6377931 0.84 KMT2A (0.57) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL1697621 0.84 MAPT (0.67) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL2964413 0.83 KMT2A (0.52) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL657693 0.83 CHEK1 (0.53) KMT2AGAANPC1RAB9ASMN1; 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50082-E1 (5,6-dihydro)pyrimido[4,5-e]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2024-08-20 US disclosed
EP-3129374-B1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RES CENTER B V (NL) 2018-12-19 EP disclosed
US-9856258-B2 (5,6-dihydro)pyrimido[4,5-E]indolizines NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2018-01-02 US disclosed
US-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES NETHERLANDS TRANSLATIONAL RESEARCH CENTER B.V. (NL) 2017-04-06 US disclosed
EP-2961750-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D]PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS Amgen Inc. (US) 2016-01-06 EP disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed
WO-2014134308-A1 SUBSTITUTED 7-OXO-PYRIDO [2, 3-D] PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF EGFR / ERBB2 RELATED DISORDERS AMGEN INC. (US) 2014-09-04 WO disclosed
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
EP-1919892-B1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2013-08-14 EP disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-8481568-B2 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION (US) 2013-07-09 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SEPRACOR INC. 2011-06-16 US disclosed
EP-1919892-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2008-05-14 EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 US disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 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 (3 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-20170096432-A1 (5,6-DIHYDRO)PYRIMIDO[4,5-E]INDOLIZINES DHFR, CYP2D6, DPYD CHRNB2 4357/4885CHRNA4 3270/4885KMT2A 2106/4885
US-20110144158-A1 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME SI, CYP3A5, CYP2D6 CHRNB2 3140/4885CHRNA4 3008/4885KMT2A 4292/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 CHRNB2 3140/4885CHRNA4 3008/4885KMT2A 4292/4885

“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.