SCHEMBL1369973

SCHEMBL1369973

c1cncc(N(Cc2cccnc2N2CCOCC2)c2cccnc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
P2RX7 Q99572 1/20 0.42
SCN10A Q9Y5Y9 3/20 0.42
SCN2A Q99250 2/20 0.42
LRRK2 Q5S007 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
CHEK1 O14757 1/20 0.41
NAMPT P43490 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
GBA1 P04062 1/20 0.38
PIK3CD O00329 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
NMT1 P30419 1/20 0.38
PDE10A Q9Y233 2/20 0.37
PLOD2 O00469 1/20 0.37

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
SCHEMBL1370133 0.86 MAPK1 (0.40) PIK3CACYP1A2CYP2C9P2RX7SCN10A
SCHEMBL1367450 0.76 NUDT1 (0.41) PIK3CANAMPTGBA1PIK3CDMTOR
SCHEMBL884734 0.75 KCNA5 (0.48) PIK3CACYP1A2CYP2C9SCN10ASCN2A
SCHEMBL30240829 0.74 CYP1A2 (0.52) PIK3CACYP1A2CYP2C9P2RX7SCN10A
SCHEMBL3287525 0.74 CYP1A2 (0.52) PIK3CACYP1A2CYP2C9P2RX7SCN10A
SCHEMBL29203362 0.74 CYP1A2 (0.52) PIK3CACYP1A2CYP2C9P2RX7SCN10A
SCHEMBL3081290 0.74 CYP1A2 (0.52) PIK3CACYP1A2CYP2C9P2RX7SCN10A
SCHEMBL13409587 0.74 CYP1A2 (0.56) PIK3CACYP1A2CYP2C9P2RX7SCN10A
SCHEMBL3289804 0.74 CYP1A2 (0.52) PIK3CACYP1A2CYP2C9P2RX7SCN10A
SCHEMBL5311868 0.74 CYP1A2 (0.52) PIK3CACYP1A2CYP2C9P2RX7SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US claimed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP claimed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-8067607-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2011-11-29 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
US-20100004229-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2010-01-07 US disclosed
EP-1993551-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-11-26 EP disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO disclosed
WO-2007089735-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20100004229-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 PIK3CA 1663/4885CYP1A2 919/4885CYP2C9 931/4885

“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.