SCHEMBL5961884

SCHEMBL5961884

N=C(c1ccncc1)c1cc(Br)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
MAPT P10636 5/20 0.47
POLB P06746 1/20 0.47
PLAU P00749 1/20 0.42
LMNA P02545 2/20 0.42
GPR35 Q9HC97 2/20 0.38
NPC1 O15118 3/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CCR9 P51686 1/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
C1S P09871 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
SCHEMBL22454014 0.84 MAPT (0.43) KDM4EMAPTPOLBPLAULMNA
SCHEMBL16109488 0.82 MAPT (0.69) KDM4EGLAMAPTPOLBPLAU
SCHEMBL342962 0.81 MAPT (0.73) KDM4EGLAMAPTPOLBPLAU
SCHEMBL22511036 0.80 CYP3A4 (0.39) KDM4EMAPTLMNAMAPK1CYP17A1
SCHEMBL16109695 0.79 KDM4E (0.49) KDM4EGLAMAPTPOLBPLAU
SCHEMBL12073780 0.79 CHEK2 (0.40) KDM4ECYP17A1CYP3A4CYP19A1CYP11B1
SCHEMBL22889979 0.76 L3MBTL1 (0.50) KDM4EMAPTPOLBLMNANPC1
SCHEMBL18781032 0.76 LMNA (0.39) KDM4EMAPTPOLBLMNANPC1
SCHEMBL21338541 0.75 ALDH1A1 (0.36) KDM4EPOLBLMNAMAPK1CYP17A1
SCHEMBL6707733 0.74 KDM4E (0.55) KDM4EGLAMAPTPOLBPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3536319-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-09-11 EP disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-8999966-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-04-07 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
US-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP 2013-09-12 US disclosed
WO-2012058127-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2012-05-03 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 (1 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-20130237518-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAP3K20 KDM4E 1802/4885GLA 3770/4885MAPT 3989/4885

“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.