SCHEMBL7475855

SCHEMBL7475855

N#Cc1cc(-n2ccnc2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
CYP19A1 P11511 2/20 0.47
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
PDE2A O00408 2/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
IDO1 P14902 2/20 0.45
ENPP2 Q13822 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NOTUM Q6P988 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL19375074 0.81 PDE3B (0.53) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL19358218 0.81 NOTUM (0.53) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL19375087 0.81 CYP19A1 (0.47) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL3490259 0.80 LMNA (0.63) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL3320465 0.78 ENPP2 (0.53) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL7425462 0.76 PDE2A (0.46) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL993223 0.76 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL1449607 0.76 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL14259451 0.76 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2
SCHEMBL6259515 0.76 LMNA (0.58) LMNAMAPTCYP19A1CYP11B1CYP11B2

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
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-0691967-B1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO LTD (JP) 1998-09-02 EP disclosed
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
WO-1994022855-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO., LTD. (JP) 1994-10-13 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 LMNA 4037/4885MAPT 1618/4885CYP19A1 2309/4885
US-20160002176-A1 ERK INHIBITORS AND USES THEREOF MAPK1, MAPK3, MAP4K2 LMNA 3554/4885MAPT 1734/4885CYP19A1 3450/4885
US-20170210729-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 LMNA 4037/4885MAPT 1618/4885CYP19A1 2309/4885
US-20160082008-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 LMNA 4037/4885MAPT 1618/4885CYP19A1 2309/4885
US-20140228322-A1 ERK INHIBITORS AND USES THEREOF MAP3K20, MAP3K1, MAPK3 LMNA 4037/4885MAPT 1618/4885CYP19A1 2309/4885

“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.