SCHEMBL113886

SCHEMBL113886

Cc1nc(-c2cc(Cc3ccc(S(C)(=O)=O)cc3)cnc2F)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.39
PIK3CA P42336 5/20 0.37
GABRA2 P47869 2/20 0.36
ATR Q13535 5/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.35
MTOR P42345 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
HPGD P15428 1/20 0.34

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
SCHEMBL114425 0.88 YTHDC1 (0.40) YTHDC1ATRCYP1A2TSHRCYP2C19
SCHEMBL14806817 0.85 PIK3CA (0.48) YTHDC1PIK3CACYP1A2MTORNPC1
SCHEMBL114841 0.83 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL168592 0.82 PIK3CA (0.46) YTHDC1PIK3CAATRCYP1A2MTOR
SCHEMBL114549 0.81 PIK3CA (0.59) YTHDC1PIK3CAMTOR
SCHEMBL113879 0.80 YTHDC1 (0.37) YTHDC1PIK3CACYP1A2TSHRCYP2C19
SCHEMBL115435 0.79 YTHDC1 (0.49) YTHDC1ATRCYP1A2TSHRCYP2C19
SCHEMBL115879 0.79 CYP2C19 (0.45) YTHDC1CYP1A2TSHRCYP2C19NPC1
SCHEMBL116314 0.79 YTHDC1 (0.39) YTHDC1PIK3CAATRCYP1A2TSHR
SCHEMBL113072 0.79 YTHDC1 (0.43) YTHDC1CYP1A2TSHRCYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 US disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD YTHDC1 4746/4885PIK3CA 2/4885GABRA2 3459/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD YTHDC1 4746/4885PIK3CA 2/4885GABRA2 3459/4885

“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.