SCHEMBL7056715

SCHEMBL7056715

Cc1ccc2c(C)nc(Nc3nc(O)c4ccccc4n3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 7/20 0.51
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 6/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 3/20 0.46
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPY5R Q15761 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL119513 0.90 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL6470228 0.82 KMT2A (0.49) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL6470089 0.81 NPSR1 (0.58) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL6470113 0.81 MAPT (0.51) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL22834199 0.80 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL15840826 0.80 MAPT (0.62) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL6469014 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL6470146 0.78 MAPT (0.61) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL2463314 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL6465726 0.74 KMT2A (0.50) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1

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 ALDH1A1 390/4885SMN1; SMN2 459/4885KMT2A 2310/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 ALDH1A1 3738/4885SMN1; SMN2 2329/4885KMT2A 3563/4885

“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.