SCHEMBL8510756

SCHEMBL8510756

CN1CCN(CCn2ccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.50
ACHE P22303 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.43
PRKCI P41743 1/20 0.42
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL10294629 0.87 TBXAS1 (0.50) TBXAS1ACHEEGLN3PRKCIKDM4E
SCHEMBL11011577 0.84 ACHE (0.60) TBXAS1ACHEEGLN3PRKCICYP3A4
SCHEMBL18402589 0.84 TBXAS1 (0.61) TBXAS1ACHEEGLN3PRKCIKDM4E
SCHEMBL1308861 0.83 TBXAS1 (0.48) TBXAS1ACHEEGLN3PRKCICYP11B1
SCHEMBL28790059 0.83 TBXAS1 (0.48) TBXAS1ACHEEGLN3PRKCICYP11B1
SCHEMBL8699805 0.82 ACHE (0.59) TBXAS1ACHEEGLN3CYP3A4
SCHEMBL10294008 0.82 TBXAS1 (0.44) TBXAS1ACHEEGLN3PRKCICYP11B1
SCHEMBL12190582 0.82 TBXAS1 (0.44) TBXAS1ACHEEGLN3PRKCITSHR
SCHEMBL20834956 0.81 TBXAS1 (0.72) TBXAS1ACHEKDM4E
SCHEMBL4758301 0.81 TBXAS1 (0.50) TBXAS1ACHEEGLN3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US claimed
EP-3960726-A9 AMINE CATIONIC LIPIDS AND USES THEREOF Dicerna Pharmaceuticals, Inc. (US) 2023-04-26 EP disclosed
EP-3960726-A1 AMINE CATIONIC LIPIDS AND USES THEREOF Dicerna Pharmaceuticals, Inc. (US) 2022-03-02 EP disclosed
EP-3597644-B1 AMINE CATIONIC LIPIDS AND USES THEREOF DICERNA PHARMACEUTICALS INC (US) 2021-09-29 EP disclosed
EP-2768958-B1 AMINE CATIONIC LIPIDS AND USES THEREOF DICERNA PHARMACEUTICALS INC (US) 2019-08-14 EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20170137409-A1 Amine Cationic Lipids and Uses Thereof NOVO NORDISK A/S (DK) 2017-05-18 US disclosed
US-9549983-B2 Amine cationic lipids and uses thereof DICERNA PHARMACEUTICALS, INC. (US) 2017-01-24 US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 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 (7 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TBXAS1 290/4885ACHE 2310/4885EGLN3 1050/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 TBXAS1 252/4885ACHE 521/4885EGLN3 3381/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 TBXAS1 3814/4885ACHE 4115/4885EGLN3 2674/4885
US-20170137409-A1 Amine Cationic Lipids and Uses Thereof SGMS2, SLC43A1, SGMS1 TBXAS1 1994/4885ACHE 4620/4885EGLN3 1695/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 TBXAS1 2471/4885ACHE 3506/4885EGLN3 4802/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 TBXAS1 290/4885ACHE 2310/4885EGLN3 1050/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TBXAS1 1834/4885ACHE 2757/4885EGLN3 280/4885

“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.