SCHEMBL1286635

SCHEMBL1286635

c1n[nH]c2nc(N3CCOCC3)ncc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
PIK3CA P42336 5/20 0.50
PIK3CD O00329 3/20 0.50
PIK3CB P42338 3/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.47
IGF1R P08069 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
PIK3R1 P27986 3/20 0.43
MTOR P42345 1/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN11 Q06124 1/20 0.41

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
SCHEMBL7269241 0.81 ROCK2 (0.50) KDM4EALDH1A1TSHRUSP2CYP1A2
SCHEMBL1360345 0.78 PIK3CA (0.58) KDM4EPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL1568985 0.76 KDM4E (0.48) KDM4EPIK3CAPIK3CDPIK3CBHTR2A
SCHEMBL19414284 0.75 HTR2A (0.58) KDM4EPIK3CAPIK3CDPIK3CBHTR2A
SCHEMBL336705 0.74 KDM4E (0.49) KDM4EPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL1286633 0.74 PIK3CA (0.50) KDM4EPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL30677292 0.74 KDM4E (0.49) KDM4EPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL3722451 0.73 PIK3CA (0.49) KDM4EPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL30604932 0.73 KMT2A (0.53) KDM4EPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL13828371 0.73 HTR2A (0.66) PIK3CAPIK3CDPIK3CBHTR2AHTR2C

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491036-B1 1,4-substituted 6-morpholin-4-yl-1H-pyrazolo[3,4-d]pyrimidine derivatives as phosphoinositide-3-kinase inhibitors (PI3K) for treating allergies and asthma MERCK PATENT GMBH (DE) 2017-07-19 EP disclosed
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP disclosed
EP-2571884-A2 MTOR SELECTIVE KINASE INHIBITORS Xcovery Holding Company LLC (US) 2013-03-27 EP disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO disclosed
WO-2011146594-A2 MTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC. (US) 2011-11-24 WO disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
EP-2382207-A2 PI3K/MTOR KINASE INHIBITORS Xcovery Holding Company LLC (US) 2011-11-02 EP disclosed
EP-2382207-A2 PI3K/MTOR KINASE INHIBITORS Xcovery Holding Company LLC (US) 2011-11-02 EP disclosed
WO-2010056320-A3 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-09-16 WO disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO disclosed
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 US 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-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS MTOR, ULK1, ULK2 KDM4E 550/4885PIK3CA 69/4885PIK3CD 119/4885
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA KDM4E 1150/4885PIK3CA 2/4885PIK3CD 5/4885
US-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 KDM4E 2732/4885PIK3CA 2/4885PIK3CD 7/4885

“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.