SCHEMBL7055769

SCHEMBL7055769

COc1ccc2nc(NC(=N)N)cc(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
MAPT P10636 7/20 0.51
LMNA P02545 3/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 6/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NQO2 P16083 1/20 0.47
MCHR1 Q99705 3/20 0.47
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7056158 0.83 KMT2A (0.56) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7057628 0.81 ALDH1A1 (0.67) POLBMAPTLMNAMEN1KMT2A
SCHEMBL7054045 0.79 KDM4E (0.54) POLBMAPTLMNAMEN1KMT2A
SCHEMBL7059022 0.78 ALDH1A1 (0.47) POLBMAPTLMNAMEN1KMT2A
SCHEMBL7055081 0.78 MEN1 (0.45) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4104105 0.78 KDM4E (0.65) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5943507 0.75 MCHR1 (0.62) POLBMAPTLMNAMEN1KMT2A
SCHEMBL7052819 0.74 MAPT (0.44) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7052739 0.74 F2 (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL9849499 0.73 POLB (0.62) POLBMAPTLMNAMEN1KMT2A

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 POLB 4804/4885MAPT 2186/4885LMNA 4829/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 POLB 4439/4885MAPT 4577/4885LMNA 2301/4885

“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.