SCHEMBL1370133

SCHEMBL1370133

c1cncc(N(Cc2cccnc2Nc2cccnc2N2CCOCC2)c2cccnc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
CHEK1 O14757 1/20 0.40
PIK3CA P42336 2/20 0.39
P2RX7 Q99572 1/20 0.39
LRRK2 Q5S007 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
NAMPT P43490 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AURKA O14965 3/20 0.37
SCN10A Q9Y5Y9 2/20 0.37
SCN2A Q99250 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE10A Q9Y233 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL1369973 0.86 PIK3CA (0.45) CHEK1PIK3CAP2RX7LRRK2ALDH1A1
SCHEMBL885570 0.80 KCNA5 (0.40) MAPK1CHEK1PIK3CAP2RX7LRRK2
SCHEMBL1368148 0.75 MAP4K4 (0.40) SMN1; SMN2
SCHEMBL1368209 0.74 ALDH1A1 (0.40) ALDH1A1POLBSMN1; SMN2
SCHEMBL4977595 0.72 ALDH1A1 (0.42) ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL1369059 0.72 ALK (0.45) ALDH1A1TP53SMN1; SMN2
SCHEMBL10094221 0.70 MAPK1 (0.46) MAPK1PIK3CAP2RX7LRRK2ALDH1A1
SCHEMBL1367218 0.69 P2RY1 (0.36) ALDH1A1TSHRGAASMN1; SMN2
SCHEMBL1367450 0.69 NUDT1 (0.41) PIK3CATSHRNAMPT
SCHEMBL12141199 0.67 NAMPT (0.44) ALDH1A1TSHRNAMPTSMN1; 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 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 MAPK1 614/4885CHEK1 2817/4885PIK3CA 1663/4885

“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.