SCHEMBL11084669

SCHEMBL11084669

COc1ncc(C)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
HASPIN Q8TF76 1/20 0.38
RXRA P19793 4/20 0.38
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
CYP1A2 P05177 2/20 0.38
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
LMNA P02545 1/20 0.36
DHFR P00374 2/20 0.36
FTO Q9C0B1 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
PLAU P00749 2/20 0.35
AGXT P21549 1/20 0.34
NUDT1 P36639 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 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
SCHEMBL3417147 0.80 HASPIN (0.39) PIK3CAHASPINCYP1A2LMNAFTO
SCHEMBL841631 0.78 P2RX3 (0.42) HASPINPLAU
SCHEMBL12051547 0.77 CYP1A2 (0.47) PIK3CAHASPINRXRAGRIN1GRIN2B
SCHEMBL29560817 0.77 DCK (0.39) PIK3CAHASPINRXRAGRIN1GRIN2B
SCHEMBL2724076 0.77 GAA (0.39) PIK3CAHASPINCYP1A2FTOALKBH5
SCHEMBL30067848 0.77 HASPIN (0.37) PIK3CAHASPINCYP1A2LMNAFTO
SCHEMBL13530552 0.77 DCK (0.39) PIK3CAHASPINRXRAGRIN1GRIN2B
SCHEMBL4149505 0.77 HASPIN (0.37) PIK3CAHASPINCYP1A2LMNAFTO
SCHEMBL18985318 0.76 RXRA (0.40) RXRAGRIN1GRIN2BCYP1A2LMNA
SCHEMBL8888 0.76 QPCT (0.40) PIK3CAHASPINRXRAGRIN1GRIN2B

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
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
EP-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
US-9980964-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-05-29 US disclosed
US-9796700-B2 ERK inhibitors and uses thereof CELGENE CAR LLC (BM) 2017-10-24 US disclosed
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-07-27 US disclosed
US-20170137406-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-05-18 US disclosed
US-9561228-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2017-02-07 US disclosed
US-9504686-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2016-11-29 US disclosed
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-03-24 US disclosed
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-01-07 US disclosed
EP-2953457-A2 ERK INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2015-12-16 EP disclosed
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 WO disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 US disclosed
EP-0061019-B1 METHOD FOR THE PREPARATION OF 2-ALKOXY-4-AMINOPYRIMIDINES HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1984-12-27 EP disclosed
US-4447609-A Method of preparing 2-alkoxy-4-aminopyrimidines DYNAMIT NOBEL AG (DE) 1984-05-08 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-20170137406-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIK3CA 113/4885HASPIN 525/4885RXRA 4024/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 PIK3CA 236/4885HASPIN 539/4885RXRA 3968/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIK3CA 113/4885HASPIN 525/4885RXRA 4024/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIK3CA 113/4885HASPIN 525/4885RXRA 4024/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B PIK3CA 940/4885HASPIN 3731/4885RXRA 4270/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIK3CA 113/4885HASPIN 525/4885RXRA 4024/4885

“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.