SCHEMBL3226636

SCHEMBL3226636

Cn1c(C(C)(C)C)cc(N)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.40
RAF1 P04049 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31
CDC25B P30305 1/20 0.30

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
SCHEMBL3217612 0.81 MAPK14 (0.52) MAPK14RAF1KDM4EALDH1A1
SCHEMBL7806197 0.77 MAPK14 (0.37) MAPK14RAF1KDM4EGRNSORT1
SCHEMBL5492510 0.76 KDM4E (0.35) KDM4EMEN1KMT2ATDP1
SCHEMBL21590002 0.69 ATAD2 (0.33)
SCHEMBL24126358 0.68 ATAD2 (0.32)
SCHEMBL16418931 0.68 NOTUM (0.45) KDM4EGRNSORT1ALDH1A1
SCHEMBL3231518 0.63 GRN (0.43) MAPK14KDM4EGRNSORT1ALDH1A1
SCHEMBL16418932 0.63 RXRA (0.39) KDM4EGRNSORT1ALDH1A1GLRA3
SCHEMBL1739672 0.60 ALDH1A1 (0.58) KDM4EGRNSORT1ALDH1A1
SCHEMBL5172268 0.60 MCL1 (0.44) KDM4EGRNSORT1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178780-A1 RAF KINASE INHIBITORS WOOD JILL E (US) 2012-07-12 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
EP-0986382-B1 RAF KINASE INHIBITORS BAYER PHARMACEUTICALS CORP (US) 2008-06-25 EP disclosed
US-20050256174-A1 Raf kinase inhibitors BAYER HEALTHCARE LLC 2005-11-17 US disclosed
US-20010006975-A1 Raf kinase inhibitors BAYER CORPORATION AND ONYX PHARMACEUTICALS WEST HAVEN, CT AND RICHMOND, CA, RESPECTIVELY 2001-07-05 US disclosed
EP-0986382-A4 RAF KINASE INHIBITORS BAYER AG (US) 2001-04-11 EP disclosed
US-6187799-B1 TREATING CANCEROUS CELL GROWTH MEDIATED BY RAF KINASE BY ADMINISTERING SPECIFIED COMPOUNDS, SUCH AS 2-(METHYOXYCARBONYL),3-((4-METHYLPHENYL)UREA),5-ALKYL-THIOPHENE ONYX PHARMACEUTICALS 2001-02-13 US disclosed
EP-0986382-A1 RAF KINASE INHIBITORS Bayer Corporation (US) 2000-03-22 EP disclosed
WO-1998052559-A1 RAF KINASE INHIBITORS BAYER CORPORATION (US) 1998-11-26 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 (4 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-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF MAPK14 239/4885RAF1 2/4885KDM4E 2074/4885
US-20050256174-A1 Raf kinase inhibitors BRAF, RAF1, ARAF MAPK14 239/4885RAF1 2/4885KDM4E 2074/4885
US-20120178780-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF MAPK14 239/4885RAF1 2/4885KDM4E 2074/4885
US-20010006975-A1 Raf kinase inhibitors BRAF, RAF1, ARAF MAPK14 239/4885RAF1 2/4885KDM4E 2074/4885

“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.