SCHEMBL3986936

SCHEMBL3986936

N=C(N)Nc1ccc2c(n1)CCC(c1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
PRKACA P17612 1/20 0.39
LTK P29376 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
MAPK8 P45983 1/20 0.39
CSNK1A1 P48729 1/20 0.39
CDK8 P49336 1/20 0.39

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
SCHEMBL3986313 0.81 MAPK1 (0.42) LMNAPOLBGAAMAPTTSHR
SCHEMBL3992143 0.81 MAPT (0.42) LMNAPOLBGAAMAPTTSHR
SCHEMBL3993713 0.81 MAPT (0.42) LMNAPOLBGAAMAPTTSHR
SCHEMBL3987971 0.76 MAPT (0.44) LMNAPOLBGAAMAPTTSHR
SCHEMBL3987948 0.76 MAPT (0.44) LMNAPOLBGAAMAPTTSHR
SCHEMBL3536226 0.74 MAPT (0.61) LMNAPOLBGAAMAPTTSHR
SCHEMBL13314768 0.74 MAPT (0.61) LMNAPOLBGAAMAPTTSHR
SCHEMBL3987673 0.72 LMNA (0.41) LMNAPOLBGAAMAPTTSHR
SCHEMBL3993813 0.72 ADRA2A (0.50) POLBCDK5KDM4EADRA2AADRA2B
SCHEMBL28593100 0.72 GAA (0.47) LMNAPOLBGAAMAPTTSHR

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-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-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 3425/4885POLB 1126/4885GAA 1285/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 LMNA 866/4885POLB 2406/4885GAA 3164/4885

“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.