SCHEMBL1787363

SCHEMBL1787363

Nn1nc(Cc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.61
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PARP1 P09874 1/20 0.49
▸ AR P10275 1/20 0.49
▸ ENPP1 P22413 1/20 0.48
▸ ADRA1A P35348 3/20 0.45
▸ HRH1 P35367 3/20 0.45
▸ ADRA1B P35368 3/20 0.45
▸ GLA P06280 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL13720704 0.89 MEN1 (0.50) TSHRENPP1MEN1MAPTKMT2A
SCHEMBL1790852 0.88 ADRA1A (0.60) TSHRCYP3A4ADRA1AHRH1ADRA1B
SCHEMBL8556390 0.80 ENPP1 (0.65) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13721057 0.80 ADRA1A (0.44) TSHRENPP1ADRA1AHRH1ADRA1B
SCHEMBL12877772 0.78 TSHR (0.71) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13858652 0.75 TSHR (0.44) TSHRCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL10342551 0.75 TSHR (0.75) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10342549 0.75 TSHR (0.52) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12862542 0.74 TSHR (0.66) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9570448 0.74 TSHR (0.62) TSHRCYP1A2CYP3A4CYP2C9CYP2C19

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
US-8859549-B2 Potassium channel modulators ABBVIE, INC. (US) 2014-10-14 — — US disclosed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
WO-2012158399-A1 CONDENSED 2 - CARBAMOYLPYRIDAZINONES AS POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-22 — — WO disclosed
US-20120289500-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-11-15 — — US disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 — — EP disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 — — WO disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 TSHR 2044/4885CYP1A2 890/4885CYP3A4 1252/4885
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 TSHR 1471/4885CYP1A2 1589/4885CYP3A4 1086/4885

“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.

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