SCHEMBL7058845

SCHEMBL7058845

Cc1nc(NC(=N)N)nc2cc(OC(F)(F)F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
MPO P05164 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MCHR1 Q99705 3/20 0.38
DYRK1A Q13627 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.38
STAT3 P40763 1/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
CLK1 P49759 1/20 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
SCHEMBL7059961 0.90 KDM4E (0.49) KDM4EMAPTALDH1A1GAAKMT2A
SCHEMBL2459826 0.85 NPSR1 (0.61) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL31320223 0.85 NPSR1 (0.61) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL7057350 0.81 KDM4E (0.46) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL7055308 0.81 KDM4E (0.55) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL24029264 0.79 MPO (0.55) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL3469723 0.79 KMT2A (0.58) KDM4EMAPTALDH1A1GAAKMT2A
SCHEMBL7056204 0.77 LMNA (0.50) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL7054202 0.77 KMT2A (0.43) KDM4EMAPTALDH1A1GAANPSR1
SCHEMBL7052858 0.77 MEN1 (0.44) KDM4EMAPTALDH1A1GAANPSR1

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 2186/4885ALDH1A1 390/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 KDM4E 3447/4885MAPT 4577/4885ALDH1A1 3738/4885

“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.