SCHEMBL5004863

SCHEMBL5004863

Cc1c2c(Cl)nnc(Cl)c2c(C)n1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5001236 0.79 CYP1A2 (0.39) MAPTHPGDL3MBTL1
Hydrochloric Acid SCHEMBL5009920 0.73 CHRM4 (0.30)
SCHEMBL10078870 0.65 MEN1 (0.32) MAPTL3MBTL1
SCHEMBL29417495 0.61 PDE10A (0.33)
SCHEMBL581530 0.61 PDE10A (0.33)
SCHEMBL19324706 0.59 KDM4E (0.32) MAPT
SCHEMBL19365955 0.58
SCHEMBL77684 0.57
SCHEMBL11985913 0.56
SCHEMBL13784458 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US claimed
US-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds MERCK SHARP & DOHME CORP. 2006-07-13 US claimed
US-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 US disclosed
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain AGT SCIENCE LIMITED (GB) 2007-05-03 US disclosed
US-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds MERCK SHARP & DOHME CORP. 2006-07-13 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 (3 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-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds GRIN2C, CACNA1C, CACNG4 HSD11B1 2781/4885MAPT 455/4885HPGD 1227/4885
US-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 HSD11B1 1991/4885MAPT 368/4885HPGD 2259/4885
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain PER2, CNR2, OPRD1 HSD11B1 3028/4885MAPT 526/4885HPGD 2673/4885

“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.