SCHEMBL3987971

SCHEMBL3987971

N=C(N)Nc1nnc2c(n1)CCC(c1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRA1A P35348 1/20 0.40
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
GRK5 P34947 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35

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
SCHEMBL3987948 0.95 MAPT (0.44) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL3986313 0.82 MAPK1 (0.42) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL3987673 0.81 LMNA (0.41) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL3993713 0.80 MAPT (0.42) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL5968194 0.78 LMNA (0.39) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL3987656 0.78 MAPK1 (0.41) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL3992143 0.78 MAPT (0.42) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL3986936 0.76 LMNA (0.43) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL13314768 0.75 MAPT (0.61) MAPTTSHRMAPK1LMNAPOLB
SCHEMBL3536226 0.75 MAPT (0.61) MAPTTSHRMAPK1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MAPT 1674/4885TSHR 669/4885MAPK1 510/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885TSHR 340/4885MAPK1 1329/4885

“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.