SCHEMBL1717428

SCHEMBL1717428

NC(=O)c1cnn(C2CCC2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.44
ALOX15 P16050 1/20 0.41
TYK2 P29597 7/20 0.40
JAK2 O60674 6/20 0.40
JAK1 P23458 6/20 0.40
JAK3 P52333 6/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
NR3C2 P08235 1/20 0.36
AURKA O14965 1/20 0.36
CDK1 P06493 1/20 0.36
AURKB Q96GD4 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL1164192 0.97 RIPK2 (0.44) RIPK2ALOX15TYK2JAK2JAK1
SCHEMBL2078467 0.95 RIPK2 (0.43) RIPK2ALOX15TYK2JAK2JAK1
SCHEMBL17604090 0.93 RIPK2 (0.46) RIPK2ALOX15TYK2JAK2JAK1
SCHEMBL27758276 0.87 ALOX15 (0.41) RIPK2ALOX15LMNASMN1; SMN2POLB
SCHEMBL6346129 0.86 RIPK2 (0.41) RIPK2ALOX15TYK2JAK2JAK1
SCHEMBL1717672 0.86 RIPK2 (0.41) RIPK2ALOX15TYK2JAK2JAK1
SCHEMBL1717322 0.86 JAK1 (0.41) RIPK2ALOX15TYK2JAK2JAK1
SCHEMBL7876651 0.84 TYK2 (0.41) RIPK2TYK2JAK2JAK1JAK3
SCHEMBL27758267 0.83 ALOX15 (0.41) ALOX15LMNANR3C2POLBALDH1A1
SCHEMBL626803 0.83 PARP1 (0.40) RIPK2ALOX15TYK2JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
EP-2389382-B1 Amino-heterocyclic compounds used as pde9 inhibitors PFIZER (US) 2013-06-05 EP disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
US-20120329777-A1 Amino-Heterocyclic Compounds PFIZER INC. 2012-12-27 US disclosed
CN-101687876-B Amino-heterocyclic compounds PFIZER 2012-12-12 CN disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO disclosed
CN-101687876-A amino-heterocyclic compounds PFIZER 2010-03-31 CN disclosed
EP-2152712-A1 AMINO-HETEROCYCLIC COMPOUNDS Pfizer Inc. (US) 2010-02-17 EP disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC 2009-01-29 US disclosed
WO-2008139293-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2008-11-20 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 (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-20120329777-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A RIPK2 4117/4885ALOX15 4730/4885TYK2 3977/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A RIPK2 4117/4885ALOX15 4730/4885TYK2 3977/4885
US-20160083391-A1 TRICYCLIC PIPERAZINE DERIVATIVE PDE3A, PDE5A, PDE2A RIPK2 4031/4885ALOX15 2345/4885TYK2 4616/4885
US-20090030003-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A RIPK2 3762/4885ALOX15 4790/4885TYK2 3830/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A RIPK2 4117/4885ALOX15 4730/4885TYK2 3977/4885

“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.