SCHEMBL7052858

SCHEMBL7052858

Cc1nc(NC(=N)N)nc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 2/20 0.44
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAOA P21397 1/20 0.42
MAPT P10636 6/20 0.41
KDR P35968 1/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 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
SCHEMBL7054191 0.92 KDM4E (0.52) MEN1KMT2ANPSR1RAB9ALMNA
SCHEMBL7055308 0.85 KDM4E (0.55) MEN1KMT2ANPSR1RAB9ALMNA
SCHEMBL2459826 0.81 NPSR1 (0.61) MEN1KMT2ANPSR1RAB9ALMNA
SCHEMBL31320223 0.81 NPSR1 (0.61) MEN1KMT2ANPSR1RAB9ALMNA
SCHEMBL7057350 0.78 KDM4E (0.46) MEN1KMT2ANPSR1RAB9ALMNA
SCHEMBL2330055 0.78 SMN1; SMN2 (0.54) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL31457433 0.78 SMN1; SMN2 (0.54) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL5923319 0.78 MAPK1 (0.50) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL7058869 0.77 SMN1; SMN2 (0.44) MEN1KMT2ARAB9ALMNAKDM4E
SCHEMBL7058845 0.77 KDM4E (0.45) MEN1KMT2ANPSR1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030176314-A1 Compounds for the treatment of pain NPFFR2, NPFFR1, OPRL1 MEN1 4788/4885KMT2A 2310/4885NPSR1 4/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 MEN1 3885/4885KMT2A 3563/4885NPSR1 39/4885

“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.