SCHEMBL3536301

SCHEMBL3536301

N=C(N)Nc1nc2c(s1)CN(Cc1ccccc1)CC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.69
ALDH1A1 P00352 6/20 0.69
KDM4E B2RXH2 6/20 0.69
KMT2A Q03164 6/20 0.69
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
NPC1 O15118 2/20 0.69
MAPK1 P28482 1/20 0.69
MAPT P10636 6/20 0.67
MEN1 O00255 4/20 0.65
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
POLB P06746 1/20 0.52
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
USP2 O75604 1/20 0.51
CYP3A4 P08684 1/20 0.51
PPARG P37231 1/20 0.51
NCOA2 Q15596 1/20 0.51
NCOA1 Q15788 1/20 0.51

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
SCHEMBL3532993 0.87 ALDH1A1 (0.54) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3532904 0.81 GAA (0.61) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3540371 0.81 ALDH1A1 (0.51) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3536791 0.79 MAPT (0.50) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL10825449 0.79 ALDH1A1 (0.49) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3532740 0.79 GAA (0.50) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3538244 0.78 ALDH1A1 (0.50) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL17934007 0.78 RAD52 (0.61) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL2379583 0.78 GAA (0.60) GAAALDH1A1KDM4EKMT2ARAB9A
SCHEMBL3540060 0.78 GAA (0.44) GAAALDH1A1KDM4EKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP claimed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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 (2 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 GAA 1530/4885ALDH1A1 1895/4885KDM4E 3147/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 GAA 3164/4885ALDH1A1 4570/4885KDM4E 1568/4885

“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.