SCHEMBL955948

SCHEMBL955948

Cc1nc2ccc(Br)cn2c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
RXFP1 Q9HBX9 1/20 0.49
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
EPHB3 P54753 1/20 0.40
TRIM24 O15164 2/20 0.39
TRIM33 Q9UPN9 2/20 0.39
AHR P35869 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
PRNP P04156 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIK3CG P48736 1/20 0.35
PARP1 P09874 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
SCHEMBL975608 0.77 GAA (0.58) GAARXFP1TSHRMAPK10EPHB3
SCHEMBL769914 0.74 GAA (0.55) GAARXFP1TSHRMAPK10EPHB3
SCHEMBL953657 0.72 KMT2A (0.50) GAARXFP1ALDH1A1LMNAKDM4E
SCHEMBL19781565 0.72 RXFP1 (0.48) GAARXFP1TSHRMAPK10TRIM24
SCHEMBL18774145 0.71 GAA (0.53) GAARXFP1TSHRMAPK10EPHB3
SCHEMBL2457745 0.70 GAA (0.51) GAARXFP1TSHRMAPK10EPHB3
SCHEMBL16792721 0.70 GAA (0.51) GAARXFP1TSHRMAPK10EPHB3
SCHEMBL16792504 0.70 GAA (0.51) GAATSHRMAPK10EPHB3ALDH1A1
SCHEMBL12808393 0.70 GAA (0.51) GAARXFP1TSHRMAPK10EPHB3
SCHEMBL954716 0.69 EPHB3 (0.57) GAAEPHB3ALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 GAA 1418/4885RXFP1 4277/4885TSHR 1608/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GAA 1693/4885RXFP1 3685/4885TSHR 2433/4885

“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.