SCHEMBL2947246

SCHEMBL2947246

O=C(O)c1cccc(OCC(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.59
KMT2A Q03164 1/20 0.59
NR1H4 Q96RI1 2/20 0.56
AKR1C3 P42330 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MRGPRX4 Q96LA9 3/20 0.50
NR4A1 P22736 2/20 0.50
NR4A3 Q92570 2/20 0.50
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49

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
SCHEMBL30281398 1.00 NR4A2 (0.59) NR4A2KMT2ANR1H4AKR1C3NPC1
SCHEMBL18952331 0.85 PARP1 (0.56)
SCHEMBL9741522 0.85 NR4A2 (0.61) NR4A2KMT2ANR1H4AKR1C3NPC1
SCHEMBL3239165 0.84 KMT2A (0.65) NR4A2KMT2ANR1H4AKR1C3NPC1
SCHEMBL931583 0.83 NR1H4 (0.75) NR4A2KMT2ANR1H4AKR1C3NPC1
SCHEMBL8417231 0.83 KMT2A (0.63) NR4A2KMT2ANR1H4AKR1C3NR4A1
SCHEMBL17416724 0.83 TDP1 (0.41) NR4A2KMT2ANR1H4MRGPRX4
SCHEMBL28028400 0.83 MRGPRX4 (0.56) NR1H4NPC1RAB9AMRGPRX4CYSLTR1
SCHEMBL5009881 0.81 NR4A2 (0.65) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL9803295 0.80 KMT2A (0.80) NR4A2KMT2ANR1H4AKR1C3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 CN disclosed
EP-1635835-B1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20060293340-A1 2-Aminopyrimidine derivatives as raf kinase inhibitors NOVARTIS AG (CH) 2006-12-28 US disclosed
EP-1635835-A1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2004110452-A1 2-AMINOPYRIMIDINE DERIVATIVES AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2004-12-23 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-20060293340-A1 2-Aminopyrimidine derivatives as raf kinase inhibitors BRAF, RAF1, ARAF NR4A2 999/4885KMT2A 824/4885NR1H4 3700/4885

“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.