SCHEMBL7057599

SCHEMBL7057599

Cc1nc(NC(=N)N)nc2cc(F)c(F)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
MAPT P10636 8/20 0.40
LMNA P02545 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 4/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
NPY2R P49146 1/20 0.37
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.35
RAD52 P43351 1/20 0.35
QRFPR Q96P65 1/20 0.35
MPO P05164 2/20 0.35

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
SCHEMBL3470079 0.84 KDM4E (0.53) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL22833819 0.82 MPO (0.55) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL24029264 0.82 MPO (0.55) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL7054013 0.81 KDM4E (0.44) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL3470444 0.79 KDM4E (0.58) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL3469723 0.79 KMT2A (0.58) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL7073342 0.78 KDM4E (0.38) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL7055907 0.77 LMNA (0.61) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL7071371 0.77 KDM4E (0.42) KDM4EMAPTLMNAKMT2ASMN1; SMN2
SCHEMBL24029263 0.77 MPO (0.55) KDM4EMAPTLMNAKMT2ASMN1; SMN2

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 4 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-2003026667-A1 QUINAZOLINO- AND QUINOLINO- GUANIDINES AS LIGANDS FOR THE NEUROP EPTIDE FF (NPFF) RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-04-03 WO 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 2186/4885LMNA 4829/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885MAPT 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.