SCHEMBL3365592

SCHEMBL3365592

CCCc1nc(NCCO)nc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GBA1 P04062 4/20 0.55
ALDH1A1 P00352 3/20 0.52
GLA P06280 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
RAD52 P43351 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL9619069 0.85 MEN1 (0.49) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL8049805 0.85 GBA1 (0.70) CYP1A2CYP2D6CYP2C9CYP2C19GBA1
SCHEMBL9619145 0.84 GAA (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL9618999 0.83 KDM4E (0.51) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL9619183 0.82 KDM4E (0.50) GBA1ALDH1A1KDM4ETSHRMEN1
SCHEMBL9619057 0.82 KDM4E (0.50) GBA1ALDH1A1KDM4ETSHRMEN1
SCHEMBL9619060 0.82 KDM4E (0.50) GBA1ALDH1A1KDM4ETSHRMEN1
SCHEMBL9619171 0.82 SMN1; SMN2 (0.57) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL9619263 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ETSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL10418857 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4ETSHRMEN1KMT2A

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
EP-0356412-B1 USE OF 2-AMINO-4-MORPHOLINO-6-PROPYL-1,3,5-TRIAZINES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF COGNITIVE AND MENTAL DISORDERS U C B, S.A. (BE) 1992-05-13 EP claimed
EP-0356413-B1 2-AMINO-4-MORPHOLINO-6-PROPYL-1,3,5-TRIAZINES U C B, S.A. (BE) 1992-01-29 EP claimed
US-4956363-A 2-amino-4-morpholino-6-propyl-1,3,5-triazine U C B S.A. (BE) 1990-09-11 US claimed
US-4956367-A COGNITION ACTIVATORS, ALZHEIMER*S DISEASE U C B S.A. (BE) 1990-09-11 US claimed
EP-0356412-A1 Use of 2-amino-4-morpholino-6-propyl-1,3,5-triazines in the preparation of a medicament for the treatment of cognitive and mental disorders U C B, S.A. (BE) 1990-02-28 EP claimed
EP-0356413-A1 2-Amino-4-morpholino-6-propyl-1,3,5-triazines U C B, S.A. (BE) 1990-02-28 EP claimed
JP-2108675-A None JP disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
EP-0356412-B1 USE OF 2-AMINO-4-MORPHOLINO-6-PROPYL-1,3,5-TRIAZINES IN THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF COGNITIVE AND MENTAL DISORDERS U C B, S.A. (BE) 1992-05-13 EP disclosed
EP-0356413-B1 2-AMINO-4-MORPHOLINO-6-PROPYL-1,3,5-TRIAZINES U C B, S.A. (BE) 1992-01-29 EP disclosed
US-4956363-A 2-amino-4-morpholino-6-propyl-1,3,5-triazine U C B S.A. (BE) 1990-09-11 US disclosed
US-4956367-A COGNITION ACTIVATORS, ALZHEIMER*S DISEASE U C B S.A. (BE) 1990-09-11 US disclosed
JP-H02108675-A 2-AMINO-4-MORPHOLINO-6-PROPYL-1,3,5-TRIAZINE UCB SA 1990-04-20 JP disclosed
EP-0356412-A1 Use of 2-amino-4-morpholino-6-propyl-1,3,5-triazines in the preparation of a medicament for the treatment of cognitive and mental disorders U C B, S.A. (BE) 1990-02-28 EP disclosed
EP-0356413-A1 2-Amino-4-morpholino-6-propyl-1,3,5-triazines U C B, S.A. (BE) 1990-02-28 EP 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CYP1A2 588/4885CYP2D6 650/4885CYP2C9 1449/4885
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D CYP1A2 3317/4885CYP2D6 3886/4885CYP2C9 4671/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 CYP1A2 1154/4885CYP2D6 1538/4885CYP2C9 2233/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 CYP1A2 1420/4885CYP2D6 2122/4885CYP2C9 2071/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 CYP1A2 3883/4885CYP2D6 4553/4885CYP2C9 4865/4885

“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.