SCHEMBL13720704

SCHEMBL13720704

Nn1nc(Cc2ccncc2)c2ccccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ TP53 P04637 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ENPP1 P22413 1/20 0.45
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CYP17A1 P05093 1/20 0.43
▸ CYP19A1 P11511 1/20 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
SCHEMBL1787363 0.89 TSHR (0.61) MEN1KMT2ATSHRMAPTENPP1
SCHEMBL1790852 0.84 ADRA1A (0.60) TSHRSMN1; SMN2
SCHEMBL13721057 0.76 ADRA1A (0.44) TSHRENPP1
SCHEMBL27585122 0.74 MEN1 (0.54) MEN1KMT2ATSHRPOLBTP53
SCHEMBL7892606 0.71 MEN1 (0.74) MEN1KMT2ATSHRPOLBTP53
SCHEMBL8556390 0.70 ENPP1 (0.65) TSHRPOLBSMN1; SMN2MAPTENPP1
SCHEMBL13720706 0.70 DDAH1 (0.38) MEN1KMT2AMAPT
SCHEMBL905630 0.69 AR (0.79) TSHRENPP1
SCHEMBL24000713 0.69 ENPP1 (0.67) TSHRPOLBSMN1; SMN2ENPP1
SCHEMBL13858652 0.69 TSHR (0.44) MEN1KMT2ATSHRPOLBSMN1; SMN2

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 3 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
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

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-20120289500-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 MEN1 1274/4885KMT2A 574/4885TSHR 2044/4885

“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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