SCHEMBL15937995

SCHEMBL15937995

COc1cc(N2CCCC2C(N)=O)ccc1N

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.46
MAPK3 P27361 1/20 0.45
F10 P00742 1/20 0.42
ACVR1 Q04771 6/20 0.42
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL15937994 1.00 PIK3CA (0.46) PIK3CAMAPK3F10ACVR1HSD11B1
SCHEMBL15938452 1.00 PIK3CA (0.46) PIK3CAMAPK3F10ACVR1HSD11B1
SCHEMBL3315348 0.83 ALDH1A1 (0.42) PIK3CAALDH1A1SMN1; SMN2
SCHEMBL20156021 0.81 ALDH1A1 (0.41) HSD11B1ALDH1A1
SCHEMBL15665295 0.80 F10 (0.58) F10ALDH1A1MAPTSMN1; SMN2
SCHEMBL3061734 0.80 F10 (0.58) F10ALDH1A1MAPTSMN1; SMN2
SCHEMBL12714776 0.79 HTR4 (0.47) SMN1; SMN2
SCHEMBL12714777 0.79 HTR4 (0.47) SMN1; SMN2
SCHEMBL28824462 0.79 ALDH1A1 (0.41) PIK3CAHSD11B1ALDH1A1
SCHEMBL28044064 0.79 ALDH1A1 (0.41) PIK3CAHSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-105188371-A Erk inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-23 CN 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
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 US disclosed
WO-2014124230-A2 ERK INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-08-14 WO 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 PIK3CA 113/4885MAPK3 3/4885F10 4760/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 PIK3CA 236/4885MAPK3 2/4885F10 4456/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIK3CA 113/4885MAPK3 3/4885F10 4760/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIK3CA 113/4885MAPK3 3/4885F10 4760/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 PIK3CA 113/4885MAPK3 3/4885F10 4760/4885

“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.