SCHEMBL21069142

SCHEMBL21069142

N#Cc1c[nH]c2ncc(-c3ccc(Cl)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
LRRK2 Q5S007 2/20 0.52
KIT P10721 3/20 0.52
CCNT1 O60563 1/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
CDK9 P50750 1/20 0.51
MCL1 Q07820 1/20 0.48
AAK1 Q2M2I8 2/20 0.47
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK2 Q92630 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
TNIK Q9UKE5 2/20 0.46

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
SCHEMBL4200987 0.83 MAPK8 (0.60) PRMT5WDR77LRRK2KITAAK1
SCHEMBL4743347 0.82 PRMT5 (0.56) PRMT5WDR77LRRK2KITAAK1
SCHEMBL4744094 0.81 PRMT5 (0.45) PRMT5WDR77LRRK2KITAAK1
SCHEMBL4746507 0.81 DYRK1A (0.56) PRMT5WDR77LRRK2AAK1CLK1
SCHEMBL4747825 0.80 PRMT5 (0.49) PRMT5WDR77LRRK2KITAAK1
SCHEMBL4743365 0.80 DYRK1A (0.58) PRMT5WDR77LRRK2KITAAK1
SCHEMBL4785608 0.79 PRMT5 (0.48) PRMT5WDR77LRRK2KITAAK1
SCHEMBL4746489 0.78 MAPK8 (0.51) PRMT5WDR77LRRK2KITAAK1
SCHEMBL4743685 0.78 PRMT5 (0.50) PRMT5WDR77LRRK2AAK1DYRK1A
SCHEMBL4745695 0.78 DYRK1B (0.64) PRMT5WDR77CYP2C9CYP2C19CLK1

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
EP-3478684-B1 NEW PROCESSES FOR THE PREPARATION OF VEMURAFENIB FERMION OY (FI) 2020-04-15 EP disclosed
US-10407427-B2 Processes for the preparation of Vemurafenib FERMION OY (FI) 2019-09-10 US disclosed
US-20190194197-A1 NEW PROCESSES FOR THE PREPARATION OF VEMURAFENIB FERMION OY (FI) 2019-06-27 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 (2 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-10407427-B2 Processes for the preparation of Vemurafenib BRAF, NRAS, PDCD1 PRMT5 887/4885WDR77 4066/4885LRRK2 415/4885
US-20190194197-A1 NEW PROCESSES FOR THE PREPARATION OF VEMURAFENIB BRAF, RAF1, NRAS PRMT5 1056/4885WDR77 4133/4885LRRK2 609/4885

“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.