SCHEMBL7058413

SCHEMBL7058413

Cc1nc(NC(=N)N)nc2cc(C(C)C)ccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALOX12 P18054 3/20 0.41
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MPO P05164 3/20 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
SCHEMBL7057506 0.91 KMT2A (0.42) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL17050154 0.86 KMT2A (0.38) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL3469723 0.83 KMT2A (0.58) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL24029264 0.81 MPO (0.55) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL7055279 0.81 MPO (0.55) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL24029263 0.81 MPO (0.55) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL7057350 0.81 KDM4E (0.46) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL31320223 0.78 NPSR1 (0.61) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL7056204 0.78 LMNA (0.50) KMT2AMEN1KDM4EALOX12ALDH1A1
SCHEMBL2459826 0.78 NPSR1 (0.61) KMT2AMEN1KDM4EALOX12ALDH1A1

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 KMT2A 2310/4885MEN1 4788/4885KDM4E 4560/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KMT2A 3563/4885MEN1 3885/4885KDM4E 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.