SCHEMBL12879628

SCHEMBL12879628

CC(C)c1ccc(-c2ncc(F)cn2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
AKR1C3 P42330 8/20 0.38
AKR1C2 P52895 8/20 0.38
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
FABP2 P12104 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C4 P17516 1/20 0.36
ADRA2B P18089 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL11994391 0.88 LMNA (0.43) LMNAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11994405 0.84 AKR1C3 (0.42) LMNAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30842572 0.77 AKR1C3 (0.47) LMNAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL12892354 0.77 HDAC1 (0.39) MEN1KMT2AHPGDHDAC1HDAC8
SCHEMBL12570872 0.76 LMNA (0.47) LMNAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6902051 0.76 LMNA (0.37) LMNAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL11994382 0.74 NPC1 (0.46) LMNAMEN1KMT2AMAPTHPGD
SCHEMBL27631730 0.73 ESR1 (0.48) HDAC1HDAC8HDAC6HDAC5
SCHEMBL26265862 0.73 PTGS2 (0.47) LMNAAKR1C3AKR1C2PTGS2PTGS1
SCHEMBL30957360 0.73 ESR1 (0.48) HDAC1HDAC8HDAC6HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 LMNA 4001/4885AKR1C3 1236/4885AKR1C2 1030/4885

“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.