SCHEMBL7059961

SCHEMBL7059961

Cc1nc(NC(=N)N)nc2ccc(OC(F)(F)F)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 4/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MCHR1 Q99705 5/20 0.44
RAB9A P51151 1/20 0.42
NPY2R P49146 1/20 0.41
DYRK1A Q13627 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
SCHEMBL7058845 0.90 KDM4E (0.45) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL4104105 0.85 KDM4E (0.65) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7055833 0.81 KDM4E (0.52) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7056239 0.81 KDM4E (0.50) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7052723 0.80 KDM4E (0.56) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL22833819 0.79 MPO (0.55) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL3470444 0.79 KDM4E (0.58) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7054191 0.78 KDM4E (0.52) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7057876 0.78 KDM4E (0.54) KDM4EMAPTSMN1; SMN2HTTALDH1A1
SCHEMBL7055907 0.77 LMNA (0.61) KDM4EMAPTSMN1; SMN2HTTALDH1A1

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 KDM4E 4560/4885MAPT 2186/4885SMN1; SMN2 459/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885MAPT 4577/4885SMN1; SMN2 2329/4885

“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.