SCHEMBL807585

SCHEMBL807585

CCC1(C(C)C)CCCN(Cc2c(F)cccc2F)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 4/20 0.40
TSHR P16473 4/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A13 Q16696 1/20 0.35
GNRHR P30968 1/20 0.35
DRD4 P21917 1/20 0.34
ALOX15 P16050 1/20 0.34
KAT2B Q92831 1/20 0.34
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 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
SCHEMBL15081967 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL15084334 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL15084387 0.77 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL10211855 0.71 ALDH1A1 (0.62) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL807397 0.71 CHRNA7 (0.57) ALDH1A1SMN1; SMN2DRD4CYP2D6
SCHEMBL12074122 0.70 MAPK1 (0.50) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL807442 0.69 ALDH1A1 (0.63) MEN1KMT2AALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL7405658 0.68 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4ETSHR
Ammonia Solution, Strong SCHEMBL28443624 0.68 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4ETSHR
SCHEMBL16225643 0.67 ALDH1A1 (0.72) MEN1KMT2AALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242981-B2 Fused pyrazole derivatives as novel ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-07-04 US disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 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-20130172341-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MAPK1, MAPK3, MAP3K1 MEN1 2779/4885KMT2A 3379/4885ALDH1A1 781/4885

“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.