SCHEMBL4145013

SCHEMBL4145013

O=C(Nc1cccnc1Cl)c1ccnc2[nH]c(-c3cccnc3)nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
IRAK4 Q9NWZ3 2/20 0.43
WNT1 P04628 1/20 0.43
DYRK1A Q13627 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
HTT P42858 2/20 0.42
PARP1 P09874 1/20 0.42
DHODH Q02127 1/20 0.42
PARP2 Q9UGN5 1/20 0.42

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
SCHEMBL4148346 0.86 RAB9A (0.53) GSK3BNPC1RAB9APOLBSMN1; SMN2
SCHEMBL4161243 0.84 KDR (0.46) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4152202 0.83 GSK3B (0.56) GSK3BPKN1PKN2IRAK4DHODH
SCHEMBL4147510 0.82 GSK3B (0.50) GSK3BPKN1PKN2POLBALDH1A1
SCHEMBL4152175 0.79 GSK3B (0.77) GSK3BPOLBALDH1A1MEN1KMT2A
SCHEMBL4162865 0.79 GSK3B (0.56) GSK3BPKN1PKN2POLBALDH1A1
SCHEMBL4160765 0.77 GSK3B (0.51) GSK3BPKN1PKN2ALDH1A1DHODH
SCHEMBL4152722 0.75 GSK3B (0.60) GSK3BCYP3A4PARP1
SCHEMBL14082578 0.74 RAB9A (0.70) NPC1RAB9APOLBALDH1A1HTT
SCHEMBL4162671 0.74 GSK3B (0.47) GSK3BRAB9ADHODH

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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US disclosed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US disclosed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 GSK3B 1/4885NPC1 2497/4885RAB9A 2749/4885

“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.