SCHEMBL7051561

SCHEMBL7051561

CCCCCCc1ccc2nc(NC(=N)N)cc(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
TLR8 Q9NR97 5/20 0.40
SPHK2 Q9NRA0 1/20 0.39
DHODH Q02127 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.38
PLK1 P53350 3/20 0.37
PLK3 Q9H4B4 1/20 0.37
KAT8 Q9H7Z6 2/20 0.37

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
SCHEMBL7056719 0.99 MAPT (0.41) MAPTS1PR4S1PR1S1PR5TLR8
SCHEMBL7052819 0.95 MAPT (0.44) MAPTALDH1A1TP53MCHR1
SCHEMBL7059022 0.85 ALDH1A1 (0.47) MAPTALDH1A1
SCHEMBL7056805 0.81 LMNA (0.47) MAPTS1PR4S1PR1S1PR5TLR8
SCHEMBL7057908 0.81 LMNA (0.47) MAPTS1PR4S1PR1S1PR5TLR8
SCHEMBL7054274 0.81 LMNA (0.47) MAPTS1PR4S1PR1S1PR5TLR8
SCHEMBL7056709 0.80 LMNA (0.48) MAPTS1PR4S1PR1S1PR5TLR8
SCHEMBL7056158 0.77 KMT2A (0.56) MAPTALDH1A1
SCHEMBL7052853 0.76 LMNA (0.49) MAPTALDH1A1TP53
SCHEMBL7051543 0.75 KDM4E (0.66) MAPTS1PR4S1PR1S1PR5TLR8

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 4 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-20030176314-A1 Compounds for the treatment of pain H. LUNDBECK A/S (DK) 2003-09-18 US disclosed
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors H. LUNDBECK A/S (DK) 2003-07-24 US disclosed
WO-2003026657-A1 COMPOUNDS FOR THE TREATMENT OF PAIN SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 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 (3 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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 MAPT 2186/4885S1PR4 1187/4885S1PR1 815/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885S1PR4 175/4885S1PR1 196/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 MAPT 4577/4885S1PR4 444/4885S1PR1 496/4885

“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.