SCHEMBL1368209

SCHEMBL1368209

CSc1ccccc1Nc1ncccc1CN(c1cccnc1)c1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.37
GRM5 P41594 2/20 0.36
LMNA P02545 2/20 0.35
KCNA5 P22460 2/20 0.35
PTK2 Q05397 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
CDK9 P50750 1/20 0.34
CDK6 Q00534 1/20 0.34
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
KCNN4 O15554 1/20 0.33

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
SCHEMBL1368500 0.90 MEN1 (0.36) ALDH1A1ALOX15L3MBTL1HTTMAPT
SCHEMBL1370788 0.88 GRM5 (0.37) ALDH1A1ALOX15L3MBTL1HTTGRM5
SCHEMBL1369281 0.88 TAAR1 (0.37) ALDH1A1ALOX15L3MBTL1HTTLMNA
SCHEMBL1369059 0.81 ALK (0.45) ALDH1A1LMNASMN1; SMN2CDK9ADRA1D
SCHEMBL1368148 0.80 MAP4K4 (0.40) L3MBTL1HTTMAPTKCNA5SMN1; SMN2
SCHEMBL1369370 0.80 USP2 (0.38) ALDH1A1GRM5KCNA5PTK2SMN1; SMN2
SCHEMBL4977595 0.80 ALDH1A1 (0.42) ALDH1A1HTTMAPTLMNAKCNA5
SCHEMBL1367218 0.76 P2RY1 (0.36) ALDH1A1HTTMAPTLMNAKCNA5
SCHEMBL12141199 0.76 NAMPT (0.44) ALDH1A1HTTLMNASMN1; SMN2MEN1
SCHEMBL1370630 0.76 KCNA5 (0.46) ALDH1A1ALOX15L3MBTL1HTTLMNA

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 ALDH1A1 1611/4885ALOX15 3738/4885L3MBTL1 1720/4885

“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.