SCHEMBL116558

SCHEMBL116558

COc1ncc(N)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
PIK3R1 P27986 1/20 0.41
AURKA O14965 3/20 0.41
AURKB Q96GD4 3/20 0.41
KDR P35968 2/20 0.41
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
CASP1 P29466 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TTK P33981 1/20 0.37
INCENP Q9NQS7 1/20 0.37
CFTR P13569 4/20 0.36
METAP2 P50579 1/20 0.35
PIK3CD O00329 1/20 0.34
HTR2A P28223 1/20 0.33

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
SCHEMBL22437335 0.87 MAPT (0.37) PIK3CAPIK3R1AURKAAURKBKDR
SCHEMBL16046405 0.82 CFTR (0.41) AURKAAURKBKDRGLAPOLB
SCHEMBL21940465 0.80 ALDH1A1 (0.47) AURKAAURKBKDRGLAPOLB
SCHEMBL5942469 0.79 AURKA (0.42) PIK3CAPIK3R1AURKAAURKBKDR
SCHEMBL24968411 0.78 AURKA (0.41) PIK3CAPIK3R1AURKAAURKBKDR
SCHEMBL115676 0.78 AURKA (0.41) PIK3CAPIK3R1AURKAAURKBKDR
SCHEMBL30851311 0.78 SSTR4 (0.42) PIK3CAPIK3R1AURKAAURKBKDR
SCHEMBL30851250 0.78 AURKA (0.41) PIK3CAPIK3R1AURKAAURKBKDR
SCHEMBL322071 0.78 SSTR4 (0.42) PIK3CAPIK3R1AURKAAURKBKDR
SCHEMBL24656388 0.76 PIK3R1 (0.41) PIK3CAPIK3R1AURKAAURKBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
EP-3601254-B1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-05-25 EP disclosed
EP-3430005-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION AND INDICATIONS THEREFORE PLEXXIKON INC (US) 2021-12-08 EP disclosed
US-11130751-B2 Quinoxaline and pyridopyrazine derivatives as PI3K-beta inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-09-28 US disclosed
US-20200181132-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS NOVALIX (FR) 2020-06-11 US disclosed
EP-3601254-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS Janssen Pharmaceutica NV (BE) 2020-02-05 EP disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 US disclosed
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors NOVARTIS AG (CH) 2019-10-15 US disclosed
EP-3149001-B1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS NOVARTIS AG (CH) 2019-04-24 EP disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 US disclosed
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS NOVARTIS AG (CH) 2017-05-04 US disclosed
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-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
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
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 (6 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 PIK3CA 2/4885PIK3R1 9/4885AURKA 765/4885
US-20200181132-A1 QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3K-BETA INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 11/4885AURKA 629/4885
US-11130751-B2 Quinoxaline and pyridopyrazine derivatives as PI3K-beta inhibitors PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 12/4885AURKA 665/4885
US-20170121335-A1 NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHBITORS MMEL1, MALT1, FBP1 PIK3CA 2042/4885PIK3R1 1641/4885AURKA 4004/4885
US-10442808-B2 Pyrazolo pyrimidine derivatives and their use as MALT1 inhbitors FBP1, MMEL1, MALT1 PIK3CA 1473/4885PIK3R1 1800/4885AURKA 4112/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3R1 9/4885AURKA 765/4885

“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.