SCHEMBL3536144

SCHEMBL3536144

N=C(N)Nc1nc2c(s1)CC(c1ccc(F)cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
LMNA P02545 6/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SLC27A1 Q6PCB7 4/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 4/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13314834 1.00 MAPT (0.46) MAPTLMNAPOLBGAATSHR
Bromide SCHEMBL3537494 0.99 MAPT (0.45) MAPTLMNAPOLBGAATSHR
SCHEMBL3541679 0.88 MAPT (0.48) MAPTLMNAPOLBGAATSHR
SCHEMBL3534984 0.88 LMNA (0.46) MAPTLMNAPOLBGAATSHR
SCHEMBL13314851 0.88 LMNA (0.46) MAPTLMNAPOLBGAATSHR
SCHEMBL13314768 0.88 MAPT (0.61) MAPTLMNAPOLBGAATSHR
SCHEMBL3536226 0.88 MAPT (0.61) MAPTLMNAPOLBGAATSHR
SCHEMBL3540986 0.87 MAPT (0.46) MAPTLMNAPOLBGAATSHR
SCHEMBL13314843 0.85 MAPT (0.44) MAPTLMNAPOLBGAATSHR
SCHEMBL13314827 0.85 MAPT (0.52) MAPTLMNAPOLBGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US claimed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 MAPT 1891/4885LMNA 2988/4885POLB 3270/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885LMNA 866/4885POLB 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.