SCHEMBL953092

SCHEMBL953092

Cc1nn2ccc(-c3cnn(C)c3)cc2c1-c1nc(-c2ccccc2)c(-c2nc[nH]n2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
AXL P30530 2/20 0.34
TTK P33981 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
IRAK1 P51617 2/20 0.33
LRRK2 Q5S007 1/20 0.33
FLT3 P36888 5/20 0.32
AURKA O14965 2/20 0.32
CSF1R P07333 2/20 0.32
RET P07949 2/20 0.32
METAP2 P50579 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
NEK2 P51955 2/20 0.32
COMT P21964 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32

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
SCHEMBL6842756 0.85 PIM1 (0.33) PIM1AXLTTKAKT1AKT2
SCHEMBL16937965 0.82 MAP3K5 (0.34) PIM1AXLTTKAKT1AKT2
SCHEMBL954940 0.80 PPARD (0.39) PIK3CDPIK3CAPIK3CB
SCHEMBL956777 0.79 HRH3 (0.36) IGF1R
Hydrochloric Acid SCHEMBL954124 0.79 PPARD (0.31) CDC7DBF4
SCHEMBL6842814 0.78 DYRK2 (0.33) CDC7DBF4IGF1R
SCHEMBL952263 0.78 KHK (0.36) FLT3IGF1R
SCHEMBL13257023 0.77 PIM1 (0.34) PIM1TTKCDC7DBF4
SCHEMBL954250 0.77 CHEK1 (0.39)
SCHEMBL952049 0.77 HRH3 (0.35) IGF1R

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 14 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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 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-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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
US-20110003806-A1 Heteroaryls and uses thereof 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 PIM1 64/4885AXL 406/4885TTK 542/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 PIM1 413/4885AXL 1745/4885TTK 1825/4885

“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.