SCHEMBL504204

SCHEMBL504204

N#CNC(=Nc1cccnc1)NCCCCCOc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.42
IMPDH2 P12268 1/20 0.41
NAMPT P43490 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
HRH2 P25021 2/20 0.39
IKBKB O14920 1/20 0.39
KMT2A Q03164 1/20 0.38
GBA1 P04062 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TBXA2R P21731 1/20 0.37
TBXAS1 P24557 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
SCHEMBL504471 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504070 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504382 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504470 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504426 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504383 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504883 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504425 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504203 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6
SCHEMBL504069 1.00 HRH4 (0.42) HRH4IMPDH2NAMPTCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) 2012-02-02 US claimed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 EP claimed
US-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) 2012-02-02 US disclosed
EP-2394649-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF Tianjin Hemay Bio-Tech Co., Ltd. (CN) 2011-12-14 EP 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-20120029036-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF PLPBP, PYGL, QDPR HRH4 1716/4885IMPDH2 1033/4885NAMPT 511/4885

“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.