SCHEMBL15946706

SCHEMBL15946706

Cc1ccccc1Nc1nc(Cl)ncc1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.52
CCNA2 P20248 8/20 0.50
CDK2 P24941 8/20 0.50
CCNK O75909 5/20 0.50
CDK9 P50750 5/20 0.50
CCND3 P30281 4/20 0.50
CDK6 Q00534 4/20 0.50
TP53 P04637 1/20 0.44
HTT P42858 2/20 0.43
AURKA O14965 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL26161918 0.89 CCNA2 (0.63) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL30394901 0.89 CCNA2 (0.63) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL21600781 0.89 KMT2A (0.52) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL264974 0.87 TP53 (0.47) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL30833794 0.86 GAA (0.42) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL22828247 0.86 GAA (0.42) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL16684776 0.86 LRRK2 (0.49) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL264920 0.84 ALDH1A1 (0.46) TP53TSHRRAB9ASMN1; SMN2HSD17B10
SCHEMBL22520101 0.83 LRRK2 (0.38) LRRK2CCNA2CDK2CCNKCDK9
SCHEMBL27751334 0.83 MAPT (0.56) LRRK2CDK9HTTNPC1LMNA

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 LRRK2 467/4885CCNA2 1906/4885CDK2 126/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 LRRK2 428/4885CCNA2 2014/4885CDK2 105/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 LRRK2 467/4885CCNA2 1906/4885CDK2 126/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 LRRK2 467/4885CCNA2 1906/4885CDK2 126/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 LRRK2 467/4885CCNA2 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.