SCHEMBL8253294

SCHEMBL8253294

C[C@@H]1CN(c2nc(Nc3ccc(Cl)c(Cl)c3)cc(N(C)C)n2)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PIK3CA P42336 2/20 0.42
ROCK2 O75116 1/20 0.41
POLA1 P09884 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
BCL6 P41182 5/20 0.36
NCOR2 Q9Y618 2/20 0.36
LMNA P02545 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 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
SCHEMBL6359089 0.83 PIK3CA (0.43) NPSR1POLBMAPTPIK3CAROCK2
SCHEMBL8254234 0.78 MAPT (0.47) NPSR1POLBMAPTROCK2POLA1
SCHEMBL8256650 0.78 MAPT (0.45) NPSR1POLBMAPTROCK2POLA1
SCHEMBL8256985 0.77 PIK3CA (0.39) NPSR1POLBMAPTPIK3CAROCK2
SCHEMBL8247731 0.76 PIK3CA (0.40) NPSR1POLBMAPTPIK3CAROCK2
SCHEMBL8253240 0.76 LMNA (0.47) NPSR1POLBMAPTPIK3CALMNA
SCHEMBL8256940 0.75 MAPT (0.43) NPSR1POLBMAPTROCK2LMNA
SCHEMBL3247965 0.75 MAPT (0.42) NPSR1POLBMAPTKMT2AMEN1
SCHEMBL6791357 0.75 SIGMAR1 (0.45) NPSR1POLBMAPTKMT2AMEN1
SCHEMBL8254503 0.75 PIK3CA (0.45) PIK3CA

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-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
US-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 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 (1 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-20040082587-A1 2,4,6-Triaminopyrimidines for the treatment of depression and/or anxiety GALR3, GALR2, GALR1 NPSR1 87/4885POLB 2882/4885MAPT 2638/4885

“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.