SCHEMBL7058869

SCHEMBL7058869

Cc1nc(NC(=N)N)nc2cc(-c3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 6/20 0.44
LMNA P02545 4/20 0.44
DHFR P00374 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
ALDH1A1 P00352 5/20 0.42
ALOX12 P18054 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
TRIM58 Q8NG06 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
MITF O75030 1/20 0.38
PAX8 Q06710 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7057442 0.91 TRIM58 (0.48) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL31457433 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL2330055 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL16908919 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL3469723 0.82 KMT2A (0.58) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL24029263 0.80 MPO (0.55) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL7055279 0.80 MPO (0.55) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL24029264 0.80 MPO (0.55) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL6695252 0.78 KDM4E (0.54) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7052858 0.77 MEN1 (0.44) SMN1; SMN2MAPTLMNAKMT2AMEN1

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 4 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
WO-2003026667-A1 QUINAZOLINO- AND QUINOLINO- GUANIDINES AS LIGANDS FOR THE NEUROP EPTIDE FF (NPFF) RECEPTORS 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 SMN1; SMN2 459/4885MAPT 2186/4885LMNA 4829/4885
US-20030139431-A1 Guanidines which are agonist/antagonist ligands for neuropeptide FF (NPFF) receptors NPFFR1, NPFFR2, SSTR3 SMN1; SMN2 2329/4885MAPT 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.