SCHEMBL13720706

SCHEMBL13720706

Nn1nc(Sc2ccncc2)c2ccccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ FLT1 P17948 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ ADORA1 P30542 3/20 0.35
▸ KAT2B Q92831 1/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PRNP P04156 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NCOA2 Q15596 1/20 0.31

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
SCHEMBL13721812 0.89 LMNA (0.40) ADORA1KAT2BMAPTKMT2ALMNA
SCHEMBL13721065 0.84 SMN1; SMN2 (0.44) ADORA1MAPTMEN1KMT2APRNP
SCHEMBL13720537 0.84 NPC1 (0.41) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL13721339 0.72 KAT2B (0.38) ADORA1KAT2BMEN1KMT2ALMNA
SCHEMBL13720704 0.70 MEN1 (0.50) MAPTMEN1KMT2A
SCHEMBL13721157 0.70 ALDH1A1 (0.46) KAT2BMAPTMEN1KMT2ALMNA
SCHEMBL13720749 0.69 ATM (0.45) DDAH1NOS1FLT1KDRMAPT
SCHEMBL1786624 0.66 NPSR1 (0.56) MEN1HSP90AA1KMT2ALMNAHTT
SCHEMBL1787409 0.66 SMN1; SMN2 (0.47) ADORA1MAPTMEN1KMT2ALMNA
SCHEMBL1788116 0.64 ALDH1A1 (0.57) MEN1KMT2ALMNACYP1A2CYP3A4

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 DDAH1 2307/4885NOS1 1683/4885FLT1 4022/4885

“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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