SCHEMBL4510903

SCHEMBL4510903

COc1cccc(-n2c(=O)[nH]c3cnc(Cl)nc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
NTRK1 P04629 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
NTRK2 Q16620 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HIF1A Q16665 1/20 0.45
CSNK2A1 P68400 2/20 0.44
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.43
XDH P47989 1/20 0.42
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
PIN1 Q13526 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL14569112 0.84 ADORA2A (0.54) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL24654511 0.82 GSK3B (0.55) NTRK1IGF1RFGFR1NTRK2KDM4E
SCHEMBL4518148 0.79 ADORA2A (0.66) CYP1A2ADORA2A
SCHEMBL14569129 0.78 ADORA2A (0.44) CYP1A2SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4507905 0.74 ADORA2A (0.46) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL12899064 0.74 JAK2 (0.52) CYP1A2FGFR1NTRK2HPGDXDH
SCHEMBL12899065 0.74 JAK2 (0.61) FGFR1NTRK2ALDH1A1HPGDHTT
SCHEMBL25027486 0.74 ALDH1A1 (0.45) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL30794004 0.74 ALDH1A1 (0.45) CYP1A2NTRK1IGF1RFGFR1NTRK2
SCHEMBL4507899 0.74 ADORA2A (0.53) CYP1A2ALDH1A1HIF1ATSHRGSK3B

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-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
US-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
US-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
WO-2007035873-A1 PURINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-29 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 (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-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases ADORA2A, P2RX6, P2RX5 CYP1A2 1602/4885NTRK1 1281/4885IGF1R 2607/4885

“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.