SCHEMBL3987656

SCHEMBL3987656

N=C(N)Nc1nc2c(c(C(F)(F)F)n1)CC(c1ccccc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 3/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
ADRA1A P35348 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3987673 0.83 LMNA (0.41) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL5968194 0.80 LMNA (0.39) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3987971 0.78 MAPT (0.44) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3987948 0.78 MAPT (0.44) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3990996 0.77 MAPK1 (0.46) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3989226 0.76 MAPK1 (0.46) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3986313 0.76 MAPK1 (0.42) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3986936 0.70 LMNA (0.43) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3536226 0.69 MAPT (0.61) MAPK1HSD17B10LMNAPOLBTSHR
SCHEMBL3992143 0.69 MAPT (0.42) MAPK1HSD17B10LMNAPOLBTSHR

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 16 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
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 MAPK1 510/4885HSD17B10 4313/4885LMNA 3425/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPK1 1329/4885HSD17B10 4630/4885LMNA 866/4885

“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.