SCHEMBL3986313

SCHEMBL3986313

N=C(N)Nc1ncc2c(n1)CCC(c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
CDK5 Q00535 2/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
PRKACA P17612 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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 0.82 MAPT (0.44) MAPK1MAPTTSHRLMNAGAA
SCHEMBL3987971 0.82 MAPT (0.44) MAPK1MAPTTSHRLMNAGAA
SCHEMBL3986936 0.81 LMNA (0.43) MAPK1MAPTTSHRLMNAGAA
SCHEMBL3987673 0.79 LMNA (0.41) MAPK1MAPTTSHRLMNAGAA
SCHEMBL3993713 0.78 MAPT (0.42) MAPK1MAPTTSHRLMNAGAA
SCHEMBL3992143 0.78 MAPT (0.42) MAPK1MAPTTSHRLMNAGAA
SCHEMBL3987656 0.76 MAPK1 (0.41) MAPK1MAPTTSHRLMNAGAA
SCHEMBL5968194 0.76 LMNA (0.39) MAPK1MAPTTSHRLMNAGAA
SCHEMBL3988019 0.75 MAPT (0.34) MAPK1MAPTPOLBCDK5ALDH1A1
SCHEMBL3987462 0.75 ENPP2 (0.31) LMNACDK5CDK5R1ENPP2CCNA2

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

“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.