SCHEMBL4875486

SCHEMBL4875486

O=C(Cl)c1ccc(Nc2cncnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.43
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
NAMPT P43490 3/20 0.38
HCAR2 Q8TDS4 1/20 0.38
MPL P40238 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
KCNE1 P15382 2/20 0.36
KCNQ1 P51787 2/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL11596462 0.84 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL4872573 0.83 HCAR2 (0.54) BCAT2MAPK13MAPK12MAPK11MAPK14
SCHEMBL8321484 0.81 NPC1 (0.51) BCAT2MAPTRAB9ASMN1; SMN2
SCHEMBL2181698 0.75 ATM (0.46) HCAR2ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL15146281 0.74 ALDH1A1 (0.44) POLBMAPTALDH1A1CYP3A4TSHR
SCHEMBL4872303 0.74 ABCG2 (0.50) BCAT2NAMPTRAB9A
SCHEMBL4872285 0.73 KMT2A (0.53) POLBMAPTRAB9ASMN1; SMN2
SCHEMBL1421520 0.73
SCHEMBL15898496 0.72 GRM4 (0.38) BCAT2HCAR2
Hydrochloric Acid SCHEMBL4868695 0.71 MPL (0.49) MPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 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-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R BCAT2 2723/4885MAPK13 1938/4885MAPK12 2770/4885

“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.