SCHEMBL3987673

SCHEMBL3987673

Cc1nc(NC(=N)N)nc2c1CC(c1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRA1A P35348 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL5968194 0.85 LMNA (0.39) LMNAMAPTPOLBGAATSHR
SCHEMBL3987656 0.83 MAPK1 (0.41) LMNAMAPTPOLBGAATSHR
SCHEMBL3987948 0.81 MAPT (0.44) LMNAMAPTPOLBGAATSHR
SCHEMBL3987971 0.81 MAPT (0.44) LMNAMAPTPOLBGAATSHR
SCHEMBL3988144 0.79 MAPK1 (0.41) LMNAMAPTMAPK1HTTHSD17B10
SCHEMBL3986313 0.79 MAPK1 (0.42) LMNAMAPTPOLBGAATSHR
SCHEMBL3992089 0.76 MAPT (0.41) LMNAMAPTPOLBGAAMAPK1
SCHEMBL3986411 0.76 KDM4E (0.30) ALDH1A1KDM4EHPGD
SCHEMBL3990171 0.74 HRH4 (0.38) LMNAHRH4HRH3ACHE
SCHEMBL3993185 0.74 ALDH1A1 (0.34) MAPTNPC1RAB9AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544691-B2 Guanidine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2009-06-09 US claimed
EP-1663993-B1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-12 EP claimed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US claimed
JP-2007504176-A 2007-03-01 JP claimed
EP-1663993-A1 GUANIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-06-07 EP claimed
WO-2005023781-A1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2005-03-17 WO claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO disclosed
US-7544691-B2 Guanidine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2009-06-09 US disclosed
US-7544691-B2 Guanidine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2009-06-09 US disclosed
US-7544691-B2 Guanidine derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2009-06-09 US disclosed
EP-1663993-B1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-12 EP disclosed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US disclosed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US disclosed
US-20070123510-A1 Guanidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2007-05-31 US disclosed
EP-1663993-A1 GUANIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-06-07 EP disclosed
WO-2005023781-A1 GUANIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2005-03-17 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-20070123510-A1 Guanidine derivatives NPFFR1, NPFFR2, OGFR LMNA 3425/4885MAPT 1674/4885POLB 1126/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 LMNA 866/4885MAPT 2646/4885POLB 2406/4885

“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.