SCHEMBL2952051

SCHEMBL2952051

Cc1cccc(Nc2c(C#N)sc3c2ccc(=O)n3-c2ccccc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.35
HAVCR2 Q8TDQ0 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
PTPN7 P35236 1/20 0.34
PPARG P37231 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN11 Q06124 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2961083 0.90 MAPT (0.39) IDO1MAPTRAB9AHAVCR2NPSR1
SCHEMBL2958784 0.88 IDO1 (0.39) IDO1MAPTRAB9AHAVCR2NPSR1
SCHEMBL2950115 0.86 LMNA (0.35) MAPTPOLBTDP1MEN1KMT2A
SCHEMBL2947088 0.86 IDO1 (0.39) IDO1MAPTRAB9AHAVCR2NPSR1
SCHEMBL2959756 0.83 IDO1 (0.37) IDO1MAPTRAB9AHAVCR2POLB
SCHEMBL2956424 0.81 CHRNA7 (0.39) MAPTRAB9ANPSR1POLBNPC1
SCHEMBL2959772 0.80 ALDH1A1 (0.38) MAPTRAB9APOLBNPC1TDP1
SCHEMBL2949261 0.79 IDO1 (0.39) IDO1MAPTRAB9AHAVCR2NPSR1
SCHEMBL2952952 0.78 CHRNA7 (0.35) IDO1GAACHRNA7
SCHEMBL2958242 0.77 IDO1 (0.37) IDO1MAPTRAB9AHAVCR2POLB

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-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 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 (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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK IDO1 100/4885MAPT 4305/4885RAB9A 3150/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 IDO1 215/4885MAPT 4495/4885RAB9A 2791/4885

“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.