SCHEMBL7056719

SCHEMBL7056719

CCCCCc1ccc2nc(NC(=N)N)cc(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TLR8 Q9NR97 4/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
TP53 P04637 1/20 0.38
MCHR1 Q99705 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38

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
SCHEMBL7051561 0.99 MAPT (0.41) MAPTTLR8ALDH1A1S1PR4S1PR1
SCHEMBL7052819 0.96 MAPT (0.44) MAPTALDH1A1TP53MCHR1TUBB4A
SCHEMBL7059022 0.86 ALDH1A1 (0.47) MAPTALDH1A1MAPK1RAB9AKDM4E
SCHEMBL7056709 0.81 LMNA (0.48) MAPTTLR8ALDH1A1S1PR4S1PR1
SCHEMBL7056805 0.80 LMNA (0.47) MAPTTLR8ALDH1A1S1PR4S1PR1
SCHEMBL7054274 0.80 LMNA (0.47) MAPTTLR8ALDH1A1S1PR4S1PR1
SCHEMBL7057908 0.80 LMNA (0.47) MAPTTLR8ALDH1A1S1PR4S1PR1
SCHEMBL7056158 0.78 KMT2A (0.56) MAPTALDH1A1RAB9AKDM4ECYP3A4
SCHEMBL7052853 0.77 LMNA (0.49) MAPTALDH1A1TP53TUBB4ATUBB
SCHEMBL7059976 0.74 KDM4E (0.68) MAPTTLR8S1PR4S1PR1S1PR5

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 5 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
WO-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO 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 2186/4885TLR8 1946/4885ALDH1A1 390/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885TLR8 2154/4885ALDH1A1 4570/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 MAPT 4577/4885TLR8 1116/4885ALDH1A1 3738/4885

“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.