SCHEMBL10157033

SCHEMBL10157033

CSc1nc(Nc2cncc(Br)c2)cc(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ PKM P14618 1/20 0.39
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GFER P55789 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ USP2 O75604 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 1/20 0.30

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
SCHEMBL10156985 0.73 PIK3CA (0.43) POLBSMN1; SMN2TSHRMAPK1MAPK14
SCHEMBL10127259 0.72 SYK (0.37) GFERRXFP1
SCHEMBL17422233 0.72 POLB (0.50) POLBPKMALDH1A1SMN1; SMN2HPGD
SCHEMBL10156550 0.71 POLB (0.48) POLBPKMALDH1A1
SCHEMBL10156777 0.70 POLB (0.42) POLBPKMGFERRXFP1SMN1; SMN2
SCHEMBL10156704 0.70 ROCK1 (0.45) POLBPKMALDH1A1SMN1; SMN2USP2
SCHEMBL8160226 0.69 POLB (0.48) POLBALDH1A1SMN1; SMN2USP2TSHR
SCHEMBL10157157 0.68 ROCK1 (0.50) POLBALDH1A1GFERRXFP1SMN1; SMN2
SCHEMBL10157834 0.67 POLB (0.44) POLBPKMALDH1A1GFERRXFP1
SCHEMBL10156964 0.67 TNNI3K (0.55) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — 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-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 POLB 4590/4885PKM 1782/4885NCOA1 335/4885

“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.

Send feedback