SCHEMBL16213477

SCHEMBL16213477

C[C@@H](NCc1cc2c(Cl)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASR P41180 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HTR6 P50406 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
PIN1 Q13526 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL17573416 0.90 ALDH1A1 (0.39) ALDH1A1VEGFAEGLN1SMN1; SMN2CASR
SCHEMBL16213596 0.84 CASR (0.38) ALDH1A1VEGFAEGLN1SMN1; SMN2CASR
SCHEMBL16213595 0.84 CASR (0.38) ALDH1A1VEGFAEGLN1SMN1; SMN2CASR
SCHEMBL16213510 0.78 MAPK1 (0.35) SMN1; SMN2MAPK1HTT
SCHEMBL16213274 0.78 MAPK1 (0.35) SMN1; SMN2MAPK1HTT
SCHEMBL16213648 0.75 PDE7A (0.36) MAPTLMNANPSR1KMT2AMEN1
SCHEMBL16213558 0.73 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPTLMNANPSR1
SCHEMBL16620569 0.72 CYP19A1 (0.32) ALDH1A1MAPTKMT2AMEN1PIN1
SCHEMBL16213222 0.72 PIN1 (0.34) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL29584493 0.72 CYP19A1 (0.32) ALDH1A1MAPTKMT2AMEN1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
EP-2991654-B1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2018-11-21 EP disclosed
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-08 US disclosed
US-10065967-B2 Compounds that are ERK inhibitors Merck, Sharp & Dohme Corp. (US) 2018-09-04 US disclosed
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-09 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-10 US disclosed
EP-2991654-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-09 EP disclosed
WO-2014179154-A2 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-11-06 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-10759805-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 ALDH1A1 450/4885VEGFA 3999/4885EGLN1 1356/4885
US-20180319804-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 ALDH1A1 560/4885VEGFA 4435/4885EGLN1 1709/4885
US-20170320882-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK4, MAPK10 ALDH1A1 560/4885VEGFA 4435/4885EGLN1 1709/4885
US-10065967-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 ALDH1A1 450/4885VEGFA 3999/4885EGLN1 1356/4885
US-20160068532-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAP3K20, MAPK6 ALDH1A1 809/4885VEGFA 3280/4885EGLN1 2336/4885

“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.