SCHEMBL4760356

SCHEMBL4760356

Cc1ncc2c3ccccc3c(Cl)nn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.37
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
GPR3 P46089 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 2/20 0.32
CYP3A4 P08684 1/20 0.32
APEX1 P27695 1/20 0.32
PMP22 Q01453 1/20 0.32
PDE4A P27815 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
SCHEMBL6350431 0.80 RXFP1 (0.44) L3MBTL1RXFP1SMN1; SMN2MEN1KMT2A
SCHEMBL6338357 0.74 GABRA1 (0.40) L3MBTL1RXFP1SMN1; SMN2MEN1KMT2A
SCHEMBL6348288 0.73 RXFP1 (0.38) L3MBTL1RXFP1SMN1; SMN2MEN1KMT2A
SCHEMBL5527076 0.72 L3MBTL1 (0.58) L3MBTL1RXFP1SMN1; SMN2MEN1KMT2A
SCHEMBL5524673 0.70 RXFP1 (1.00) L3MBTL1RXFP1SMN1; SMN2MEN1KMT2A
SCHEMBL31146696 0.70 RXFP1 (1.00) L3MBTL1RXFP1SMN1; SMN2MEN1KMT2A
SCHEMBL15887033 0.67 LCK (0.42) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30166157 0.63 PLAU (0.47) L3MBTL1RXFP1SMN1; SMN2ALDH1A1POLB
SCHEMBL1536589 0.63 PLAU (0.47) L3MBTL1RXFP1SMN1; SMN2ALDH1A1POLB
SCHEMBL17431860 0.62 TNKS (0.37) MEN1KMT2AALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677799-A4 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2008-09-10 EP 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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain MERCK & CO., INC. 2007-09-13 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
EP-1677799-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-07-12 EP disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 WO disclosed
WO-2005041971-A1 TRIAZOLO-PYRIDAZINE COMPOUNDS AND DERIVATIVES THEREOF USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-05-12 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-20070213338-A1 Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain PER2, CNR2, OPRD1 L3MBTL1 1588/4885RXFP1 2969/4885SMN1; SMN2 2442/4885

“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.