SCHEMBL2521895

SCHEMBL2521895

N#CC(Nc1ccc(Br)cc1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.48
CNR1 P21554 3/20 0.44
SGMS2 Q8NHU3 1/20 0.43
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP14 P50281 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
SCHEMBL28305748 1.00 ALDH1A1 (0.53) ALDH1A1GAAKDM4ECNR1SGMS2
SCHEMBL28305751 0.91 ALDH1A1 (0.61) ALDH1A1GAAKDM4ECNR1SGMS2
SCHEMBL28305744 0.83 ALDH1A1 (0.64) ALDH1A1GAAKDM4ECNR1SGMS2
SCHEMBL8790518 0.83 ALDH1A1 (0.55) ALDH1A1GAAKDM4ESGMS2KMT2A
SCHEMBL30731684 0.83 ALDH1A1 (0.64) ALDH1A1GAAKDM4ECNR1SGMS2
SCHEMBL11565259 0.83 ALDH1A1 (0.55) ALDH1A1GAAKDM4ESGMS2KMT2A
SCHEMBL30731691 0.80 ALDH1A1 (0.85) ALDH1A1GAAKDM4ESGMS2KMT2A
SCHEMBL5311403 0.80 ALDH1A1 (0.53) ALDH1A1GAAKDM4ESGMS2KMT2A
SCHEMBL30731742 0.80 ALDH1A1 (0.85) ALDH1A1GAAKDM4ESGMS2KMT2A
SCHEMBL15569622 0.79 KCNJ11 (0.39) ALDH1A1GAAKDM4ESGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328091-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2016-05-03 US disclosed
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2015-09-24 US disclosed
CN-104876921-A 5H-cyclopenta[d]pyrimidines As AKT Protein Kinase Inhibitors ARRAY BIOPHARMA INC 2015-09-02 CN disclosed
US-8895566-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
EP-2250155-B1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2013-04-04 US disclosed
US-8329709-B2 5H-cyclopenta[D]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2012-12-11 US disclosed
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2011-10-13 US disclosed
CN-101970415-A 5H-cyclopenta [ d ] pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2011-02-09 CN disclosed
EP-2250155-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-11-17 EP disclosed
WO-2009089462-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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 (3 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-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 ALDH1A1 2704/4885GAA 1487/4885KDM4E 3418/4885
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 ALDH1A1 2704/4885GAA 1487/4885KDM4E 3418/4885
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS AKT3, PIK3CA, AKT2 ALDH1A1 2660/4885GAA 1513/4885KDM4E 3456/4885

“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.