SCHEMBL7071371

SCHEMBL7071371

COc1cc2c(C)nc(NC(=N)N)nc2cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
MAPT P10636 9/20 0.42
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAD52 P43351 3/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38

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 0.86 KDM4E (0.53) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL7054013 0.82 KDM4E (0.44) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL4104105 0.78 KDM4E (0.65) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL31320223 0.78 NPSR1 (0.61) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL2459826 0.78 NPSR1 (0.61) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL7057599 0.77 KDM4E (0.40) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL4105253 0.76 KDM4E (0.45) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL3469723 0.74 KMT2A (0.58) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL3470444 0.74 KDM4E (0.58) KDM4EMAPTLMNASMN1; SMN2KMT2A
SCHEMBL7073342 0.74 KDM4E (0.38) KDM4EMAPTLMNASMN1; SMN2KMT2A

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 2 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

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.