SCHEMBL1286633

SCHEMBL1286633

c1nc(N2CCOCC2)nc2n[nH]cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.50
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
PIK3R1 P27986 2/20 0.40
CYP1A2 P05177 2/20 0.40
MTOR P42345 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1286635 0.74 KDM4E (0.51) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL29785003 0.74 AKR1C3 (0.40) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL336706 0.72 PIK3CD (0.50) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL30313619 0.71 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL3722451 0.71 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL1360345 0.69 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL16238117 0.68 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL2420211 0.68 HTR3A (0.67) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL29460463 0.68 HTR3A (0.67) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1
SCHEMBL2376887 0.68 KDM4E (0.48) PIK3CAPIK3CDPIK3CBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-102971324-A MTOR selective kinase inhibitors XCOVERY HOLDING CO LLC 2013-03-13 CN disclosed
CN-102264732-A Pi3k/mtor kinase inhibitors 2011-11-30 CN 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

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-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS MTOR, ULK1, ULK2 PIK3CA 69/4885PIK3CD 119/4885PIK3CB 132/4885
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA PIK3CA 2/4885PIK3CD 5/4885PIK3CB 9/4885

“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.