SCHEMBL954429

SCHEMBL954429

Cc1nc2ccc(C3CCCCC3)cn2c1-c1nc(-c2ccccc2)c(-c2nc[nH]n2)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.40
AKT2 P31751 3/20 0.40
F2RL1 P55085 1/20 0.38
ALOX5 P09917 5/20 0.34
SLC2A1 P11166 1/20 0.32
RAF1 P04049 1/20 0.32
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
MAPK14 Q16539 1/20 0.31
ADORA1 P30542 1/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA2A P29274 1/20 0.30
PRCP P42785 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BRD4 O60885 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
SCHEMBL954430 0.85 SLC2A1 (0.36) AKT1AKT2SLC2A1CDC7DBF4
SCHEMBL956034 0.84 GAA (0.38) AKT1AKT2CDC7DBF4KDM4E
SCHEMBL956657 0.81 AKT1 (0.40) AKT1AKT2CDC7DBF4KDM4E
SCHEMBL16937989 0.80 AKT1 (0.40) AKT1AKT2F2RL1ALOX5SLC2A1
SCHEMBL954582 0.80 AKT1 (0.45) AKT1AKT2CDC7DBF4
SCHEMBL953254 0.79 F2RL1 (0.45) AKT1AKT2F2RL1CDC7DBF4
SCHEMBL954401 0.78 L3MBTL1 (0.39) ADORA1KDM4EALDH1A1HPGDTSHR
SCHEMBL954268 0.78 SLC2A1 (0.39) AKT1AKT2SLC2A1CDC7DBF4
SCHEMBL954263 0.77 BTK (0.44) AKT1AKT2F2RL1CDC7DBF4
SCHEMBL952127 0.76 CDC7 (0.50) AKT1AKT2F2RL1CDC7DBF4

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 15 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
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 AKT1 5/4885AKT2 3/4885F2RL1 4757/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 AKT1 4/4885AKT2 7/4885F2RL1 1942/4885

“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.