SCHEMBL5095459

SCHEMBL5095459

CCc1ccc2c(-c3cccc(Cl)c3)c(C(CC)C(=O)O)c(-c3ccccc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
RECQL P46063 2/20 0.40
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DCAF1 Q9Y4B6 1/20 0.36
ADORA1 P30542 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
FABP4 P15090 2/20 0.35
PTGFR P43088 3/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
NR4A2 P43354 1/20 0.34
RXRG P48443 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
FABP3 P05413 1/20 0.34

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
SCHEMBL3823093 0.83 KDM4E (0.37) KDM4ERECQLLMNATSHRMAPK1
SCHEMBL3823219 0.81 KDM4E (0.43) KDM4EMAPTNPSR1RXRARXRB
SCHEMBL1678407 0.79 RXRA (0.46) KDM4EMAPTNPSR1ADORA1RXRA
SCHEMBL3821918 0.77 MAPT (0.39) KDM4EMAPTNPSR1ADORA1
SCHEMBL3827737 0.77 TBXAS1 (0.43) KDM4ETSHRRXRARXRBNR4A2
SCHEMBL5100959 0.76 ADORA1 (0.49) KDM4ENPSR1ADORA1
SCHEMBL3826332 0.75 DHFR (0.42) KDM4EMAPTNPSR1GABRA2GABRB2
SCHEMBL5094734 0.74 ADORA1 (0.39) KDM4EMAPTNPSR1ADORA1
SCHEMBL5089708 0.74 FAAH (0.40) KDM4EMAPTADORA1RXRARXRB
SCHEMBL3820863 0.74 DHFR (0.43) KDM4EMAPTNPSR1GABRA2GABRB2

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-7317009-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2008-01-08 US disclosed
US-7153854-B2 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-12-26 US disclosed
US-20060270678-A1 Pyrrolopyridazine derivatives ASTELLAS PHARMA INC. (JP) 2006-11-30 US disclosed
US-20050075342-A1 Pyrrolopyridazine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-07 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 (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-20050075342-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KDM4E 1703/4885RECQL 558/4885MAPT 2752/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 KDM4E 1703/4885RECQL 558/4885MAPT 2752/4885

“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.