SCHEMBL15599462

SCHEMBL15599462

CCCCOc1cccc(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 5/20 0.46
LIPG Q9Y5X9 5/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
FFAR1 O14842 1/20 0.43
DHFR P00374 5/20 0.40
ALDH1A1 P00352 1/20 0.40
DGAT1 O75907 1/20 0.39
TAS2R8 Q9NYW2 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL21049883 0.91 MEN1 (0.46) LPLLIPGMEN1KMT2AFFAR1
SCHEMBL14858471 0.86 DGAT1 (0.52) MEN1KMT2AFFAR1ALDH1A1DGAT1
SCHEMBL29801489 0.86 DGAT1 (0.52) MEN1KMT2AFFAR1ALDH1A1DGAT1
SCHEMBL14858045 0.85 MEN1 (0.60) MEN1KMT2AFFAR1ALDH1A1TAS2R8
SCHEMBL29801659 0.85 MEN1 (0.60) MEN1KMT2AFFAR1ALDH1A1TAS2R8
SCHEMBL21049901 0.82 MEN1 (0.44) LPLLIPGMEN1KMT2AFFAR1
SCHEMBL16968989 0.82 FFAR1 (0.46) MEN1KMT2AFFAR1
SCHEMBL21049914 0.82 FFAR1 (0.41) LIPGMEN1KMT2AFFAR1ALDH1A1
SCHEMBL21049915 0.81 SCD (0.42) FFAR1ALDH1A1
SCHEMBL21049880 0.81 MEN1 (0.44) LPLLIPGMEN1KMT2AFFAR1

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-9353107-B2 3-(pyrazolyl)-1H-pyrrolo[2,3-b]pyridine derivatives as kinase inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-05-31 US disclosed
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-11-26 US disclosed
US-20150183781-A1 5-(1H-Pyrazol-4-yl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors Um Pharmauji Sdn. Bhd. (MY) 2015-07-02 US disclosed
WO-2014006554-A1 3-(PYRAZOLYL)-1H-PYRROLO[2,3-b]PYRIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-01-09 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 (2 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-20150183781-A1 5-(1H-Pyrazol-4-yl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K1, MAP3K5, MAP3K3 LPL 3543/4885LIPG 2639/4885MEN1 3572/4885
US-20150336949-A1 3-(Pyrazolyl)-1H-Pyrrolo[2,3-b]Pyridine Derivatives as Kinase Inhibitors MAP3K3, MAP3K1, MAP3K6 LPL 2877/4885LIPG 1636/4885MEN1 3581/4885

“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.