SCHEMBL2160718

SCHEMBL2160718

COc1cccc(-c2nc(Cl)c(SC)c(N3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.55
PIK3CA P42336 2/20 0.54
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
PIK3CD O00329 1/20 0.49
PIK3C2B O00750 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49

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
SCHEMBL13718731 0.87 MTOR (0.55) MTORPIK3CACYP1A2CYP3A4TSHR
SCHEMBL13828754 0.86 PIK3CA (0.56) MTORPIK3CACYP1A2CYP3A4MAPT
SCHEMBL13572313 0.85 MTOR (0.62) MTORPIK3CAPIK3CDPIK3C2BPIK3CB
SCHEMBL2152956 0.79 MTOR (0.70) MTORPIK3CACYP1A2CYP3A4USP2
SCHEMBL22288063 0.79 PIK3CA (0.72) MTORPIK3CACYP1A2CYP3A4CYP2C19
SCHEMBL2153817 0.78 MTOR (0.70) MTOR
SCHEMBL2148462 0.78 MTOR (0.70) MTORPIK3CAPIK3CD
SCHEMBL1309698 0.77 CYP1A2 (0.67) MTORPIK3CACYP1A2CYP3A4MAPT
SCHEMBL2148860 0.77 MTOR (0.60) MTOR
SCHEMBL4128517 0.77 CYP1A2 (0.61) PIK3CACYP1A2CYP3A4MAPTCYP2C9

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-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
US-9801888-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2017-10-31 US disclosed
EP-2519102-B1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEV CENTER BIOTECHNOLOGY (TW) 2016-10-19 EP disclosed
EP-2519102-B1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEV CENTER BIOTECHNOLOGY (TW) 2016-10-19 EP disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-05-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-9315491-B2 Pyrimidine compounds as mTOR and PI3K inhibitors DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2016-04-19 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2014-06-26 US disclosed
US-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2012-11-15 US disclosed
US-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS DCB-USA LLC (US) 2012-11-15 US disclosed
EP-2519102-A2 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS Development Center For Biotechnology (TW) 2012-11-07 EP disclosed
WO-2011080568-A2 NOVEL PYRIMIDINE COMPOUNDS AS MTOR AND P13K INHIBITORS DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2011-07-07 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-20120288492-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885CYP1A2 2358/4885
US-20160136176-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885CYP1A2 2358/4885
US-20140178360-A1 NOVEL PYRIMIDINE COMPOUNDS AS mTOR AND PI3K INHIBITORS MTOR, PIK3CA, TYMS MTOR 1/4885PIK3CA 2/4885CYP1A2 2358/4885

“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.