SCHEMBL15946708

SCHEMBL15946708

Cc1cnc(Nc2ccccc2NC(=O)OC(C)(C)C)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCND3 P30281 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CDK6 Q00534 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ MAPK3 P27361 9/20 0.42
▸ SYK P43405 1/20 0.41
▸ ATR Q13535 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39

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
SCHEMBL15948508 0.85 MAPK3 (0.48) MAPK3PTK2
SCHEMBL16137332 0.85 LRRK2 (0.47) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL15946709 0.81 STK17B (0.45) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL16134078 0.77 SYK (0.44) MAPK3SYKLRRK2
SCHEMBL15434041 0.75 MAPK3 (0.47) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL13300748 0.75 STK17B (0.54) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL2880191 0.75 LMNA (0.54) BRD9RAB9A
SCHEMBL16134079 0.74 PLK1 (0.48) CDK2MAPK3SYKPTK2LRRK2
SCHEMBL14290114 0.74 ABCG2 (0.46) CCNKCCNA2CDK2CCND3CDK9
SCHEMBL15938134 0.74 STK17A (0.44) CDK2CDK9P2RX7MAPK3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9145387-B2 ERK inhibitors and uses thereof CELGENE AVILOMICS RESEARCH, INC. (US) 2015-09-29 — — US disclosed
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 — — 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 (5 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 CCNK 581/4885CCNA2 1906/4885CDK2 126/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 CCNK 470/4885CCNA2 2014/4885CDK2 105/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 CCNK 581/4885CCNA2 1906/4885CDK2 126/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 CCNK 581/4885CCNA2 1906/4885CDK2 126/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 CCNK 581/4885CCNA2 1906/4885CDK2 126/4885

“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.

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