SCHEMBL2669595

SCHEMBL2669595

Nc1c2c(nc3c(-c4cccc(F)c4F)cccc13)CN(C1CC1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ PTPN11 Q06124 3/20 0.35
▸ MAOA P21397 2/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ PARP1 P09874 3/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ TYMS P04818 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ ALPL P05186 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31

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
SCHEMBL2661944 0.94 MAPK1 (0.47) MAPK1PTPN11MAOAGRM5PARP1
SCHEMBL2662522 0.92 MAPK1 (0.48) MAPK1PTPN11MAOAGRM5PARP1
SCHEMBL2662123 0.90 MAPK1 (0.46) MAPK1MAOAGRM5PARP1CYP1A2
SCHEMBL2660877 0.89 MAPK1 (0.43) MAPK1GRM5PARP1POLBHTT
SCHEMBL2669596 0.88 PDE4A (0.42) MAPK1PTPN11MAOAPOLBPDE4A
SCHEMBL2661337 0.88 PDE4A (0.42) MAPK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2657321 0.87 NPY1R (0.40) MAPK1NPY1RNPY5RPDE4A
SCHEMBL2661690 0.85 GABRA1 (0.44) MAPK1MAOANPY1RNPY5RPDE4A
SCHEMBL2656990 0.85 MAPK1 (0.39) MAPK1MAOAGRM5NPY1RNPY5R
SCHEMBL4924467 0.84 HRH4 (0.41) MAPK1MAOAGRM5PARP1TYMS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF MAPK1 3191/4885PTPN11 3830/4885MAOA 6/4885

“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.

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