SCHEMBL7056771

SCHEMBL7056771

Cc1nc(NC(=N)N)nc2ccc(C(C)(C)C)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 10/20 0.44
NPY2R P49146 1/20 0.44
KDM4E B2RXH2 9/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
ALOX12 P18054 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 1/20 0.40
LRRK2 Q5S007 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7054202 0.89 KMT2A (0.43) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL3470444 0.83 KDM4E (0.58) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL22833837 0.81 LMNA (0.47) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL7053225 0.81 MPO (0.55) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL22833819 0.81 MPO (0.55) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL7053255 0.81 MPO (0.55) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL7057442 0.78 TRIM58 (0.48) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL7055907 0.78 LMNA (0.61) LMNARAB9AMAPTNPY2RKDM4E
SCHEMBL4104105 0.78 KDM4E (0.65) LMNARAB9AMAPTKDM4EMEN1
SCHEMBL7059961 0.77 KDM4E (0.49) LMNARAB9AMAPTNPY2RKDM4E

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 LMNA 4829/4885RAB9A 3568/4885MAPT 2186/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 LMNA 2301/4885RAB9A 2019/4885MAPT 4577/4885

“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.