SCHEMBL7057442

SCHEMBL7057442

Cc1nc(NC(=N)N)nc2ccc(-c3ccccc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 1/20 0.48
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 9/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
NPY2R P49146 1/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 0.41
NPY1R P25929 1/20 0.41
NPY5R Q15761 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7058869 0.91 SMN1; SMN2 (0.44) TRIM58MAPTKDM4ESMN1; SMN2HTT
SCHEMBL3470444 0.83 KDM4E (0.58) MAPTKDM4ESMN1; SMN2HTTLMNA
SCHEMBL2330055 0.83 SMN1; SMN2 (0.54) MAPTKDM4ESMN1; SMN2HTTLMNA
SCHEMBL31457433 0.83 SMN1; SMN2 (0.54) MAPTKDM4ESMN1; SMN2HTTLMNA
Hydrochloric Acid SCHEMBL16908919 0.81 SMN1; SMN2 (0.53) MAPTSMN1; SMN2HTTLMNAALDH1A1
SCHEMBL7053225 0.81 MPO (0.55) MAPTKDM4ESMN1; SMN2HTTLMNA
SCHEMBL7053255 0.81 MPO (0.55) MAPTKDM4ESMN1; SMN2HTTLMNA
SCHEMBL22833819 0.81 MPO (0.55) MAPTKDM4ESMN1; SMN2HTTLMNA
SCHEMBL7058864 0.81 LMNA (0.47) MAPTKDM4ESMN1; SMN2HTTLMNA
SCHEMBL7055833 0.81 KDM4E (0.52) MAPTKDM4ESMN1; SMN2HTTLMNA

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 TRIM58 2174/4885MAPT 2186/4885KDM4E 4560/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 TRIM58 3867/4885MAPT 4577/4885KDM4E 3447/4885

“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.