SCHEMBL7052819

SCHEMBL7052819

CCCCc1ccc2nc(NC(=N)N)cc(C)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
MCHR1 Q99705 2/20 0.41
TP53 P04637 1/20 0.41
SKP2 Q13309 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
PSMB5 P28074 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39
TUBB3 Q13509 4/20 0.39
TUBB2A Q13885 4/20 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
SCHEMBL7056719 0.96 MAPT (0.41) MAPTMCHR1TP53SKP2MAPK1
SCHEMBL7051561 0.95 MAPT (0.41) MAPTMCHR1TP53ALDH1A1
SCHEMBL7059022 0.87 ALDH1A1 (0.47) MAPTMAPK1RAB9AALDH1A1HIF1A
SCHEMBL7052853 0.81 LMNA (0.49) MAPTTP53SKP2MAPK1RAB9A
SCHEMBL7056158 0.79 KMT2A (0.56) MAPTRAB9AALDH1A1CYP2D6CYP1A2
SCHEMBL7056709 0.77 LMNA (0.48) MAPTTP53MAPK1RAB9APSMB5
SCHEMBL7056805 0.76 LMNA (0.47) MAPTTP53RAB9APSMB5ALDH1A1
SCHEMBL7054274 0.76 LMNA (0.47) MAPTTP53RAB9APSMB5ALDH1A1
SCHEMBL7057908 0.76 LMNA (0.47) MAPTTP53RAB9APSMB5ALDH1A1
SCHEMBL7054045 0.74 KDM4E (0.54) MAPTRAB9AALDH1A1CYP1A2LMNA

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 2186/4885MCHR1 115/4885TP53 4403/4885
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 MAPT 2646/4885MCHR1 15/4885TP53 4839/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 MAPT 4577/4885MCHR1 123/4885TP53 4876/4885

“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.