SCHEMBL5089708

SCHEMBL5089708

CCc1ccc2c(-c3cccc(Cl)c3)c(CCCCC(=O)NC)c(-c3ccccc3)nn12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
ADORA1 P30542 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
TBXAS1 P24557 2/20 0.35
MAPK8 P45983 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
NR4A2 P43354 1/20 0.35
RXRG P48443 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 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
SCHEMBL3827737 0.91 TBXAS1 (0.43) KDM4EPTGDR2TBXAS1RXRARXRB
SCHEMBL5094874 0.90 NR4A2 (0.38) TP53THRBADORA1PARP1KDM4E
SCHEMBL5101417 0.89 FAAH (0.38) FAAHKDM4EHDAC1HDAC7TBXAS1
SCHEMBL5089890 0.88 HDAC3 (0.41) TP53ADORA1PARP1KDM4EHDAC1
SCHEMBL3820863 0.88 DHFR (0.43) FAAHKDM4EMAPTTBXAS1
SCHEMBL5095638 0.87 FAAH (0.38) FAAHADORA1MAPTTBXAS1NR4A2
SCHEMBL1678407 0.86 RXRA (0.46) TP53THRBADORA1KDM4EMAPT
SCHEMBL5094734 0.85 ADORA1 (0.39) ADORA1KDM4EMAPTPTGDR2
SCHEMBL3826332 0.84 DHFR (0.42) FAAHTP53THRBKDM4EMAPT
SCHEMBL5101067 0.83 ALDH1A1 (0.44) TP53MAPT

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 FAAH 2995/4885TP53 2710/4885THRB 2520/4885
US-20060270678-A1 Pyrrolopyridazine derivatives PDE4A, PDE5A, PDE12 FAAH 2995/4885TP53 2710/4885THRB 2520/4885

“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.