SCHEMBL5000967

SCHEMBL5000967

Cc1nnc(C)c2c(C)n(-c3ccc(C(C)C)cc3)c(C)c12

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
TSHR P16473 2/20 0.67
ALOX15 P16050 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 3/20 0.56
CACNA2D1 P54289 8/20 0.54
NPSR1 Q6W5P4 2/20 0.51
RAD52 P43351 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL8359653 0.81 KDM4E (0.71) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL13993249 0.80 KDM4E (1.00) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL5009788 0.77 CACNA2D1 (0.62) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL5008011 0.77 KDM4E (0.71) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL8359669 0.77 KDM4E (0.71) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL8359660 0.77 TSHR (1.00) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL5008016 0.76 MEN1 (1.00) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL8359537 0.72 KDM4E (1.00) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL8361379 0.71 KDM4E (0.62) KDM4ETSHRALOX15L3MBTL1MEN1
SCHEMBL13542787 0.71 MAPT (0.50) KDM4EALOX15L3MBTL1MEN1KMT2A

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-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 US disclosed
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-7465730-B2 Treatment of neuropathic pain with 6H-pyrrolo[3,4-d]pyridazine compounds MERCK & CO. INC. (US) 2008-12-16 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
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 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-20060154929-A1 Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds GRIN2C, CACNA1C, CACNG4 KDM4E 1778/4885TSHR 2114/4885ALOX15 1911/4885

“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.