SCHEMBL1621722

SCHEMBL1621722

COc1ccc(Sc2cccc(Cl)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.47
MAPT P10636 4/20 0.43
DHFR P00374 1/20 0.43
NFE2L2 Q16236 1/20 0.43
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
PTGIR P43119 3/20 0.39
EGFR P00533 1/20 0.38
TYMS P04818 1/20 0.38
PDGFRB P09619 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.37
PPP1CA P62136 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL11149965 0.78 L3MBTL1 (0.44) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL11684703 0.77 MAPT (0.59) MAPTDHFRRXFP1SMN1; SMN2MEN1
SCHEMBL1619947 0.77 MEN1 (0.56) MAPTDHFRNFE2L2NPSR1MEN1
SCHEMBL6510394 0.75 MAPT (0.49) HAO1MAPTIDO1NPSR1RXFP1
SCHEMBL7662525 0.75 HAO1 (0.46) HAO1MAPTIDO1NPSR1RXFP1
SCHEMBL11577739 0.75 SRC (0.33) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4743804 0.74 HPGD (0.53) HAO1MAPTIDO1NPSR1RXFP1
SCHEMBL9018844 0.72 L3MBTL1 (0.61) HAO1MAPTNPSR1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7273479 0.71 L3MBTL1 (0.64) HAO1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11685269 0.71 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
US-7928140-B2 Benzothiazole PI3 kinase modulators for cancer treatment AMGEN INC. (US) 2011-04-19 US disclosed
EP-2183232-A2 PI3 KINASE MODULATORS AND METHODS OF USE Amgen, Inc (US) 2010-05-12 EP disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
US-20090054405-A1 PI3 kinase modulators and methods of use AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 WO disclosed
WO-2009017822-A2 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2009-02-05 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-20090054405-A1 PI3 kinase modulators and methods of use PIK3CA, PIK3C2A, PIK3C2B HAO1 2579/4885MAPT 4500/4885DHFR 4219/4885

“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.