SCHEMBL4991471

SCHEMBL4991471

COc1cccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
ABCG2 Q9UNQ0 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
PIM2 Q9P1W9 5/20 0.48
KIT P10721 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAD52 P43351 1/20 0.46
PIM1 P11309 1/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL4997603 0.95 NPC1 (0.59) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL4992338 0.94 NPC1 (0.61) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL4996925 0.93 MAPT (0.53) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL4996238 0.92 NPC1 (0.50) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL4997579 0.90 MAPT (0.48) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL4992241 0.89 ALDH1A1 (0.53) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL4997668 0.88 NPC1 (0.58) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL5000619 0.86 MAPT (0.60) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5000665 0.86 NPC1 (0.50) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL5000827 0.86 ALDH1A1 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed
US-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C CYP1A2 743/4885CYP2C9 1115/4885CYP2C19 273/4885

“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.