SCHEMBL4904477

SCHEMBL4904477

Cc1ccnc(CNC(=O)NCCF)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
WDR5 P61964 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
F2 P00734 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL22581521 0.80 KMT2A (0.49) KMT2AL3MBTL1WDR5PKMRAB9A
SCHEMBL17801961 0.79 NPSR1 (0.51) KMT2AL3MBTL1WDR5PKMRAB9A
SCHEMBL4893352 0.78 SMN1; SMN2 (0.63) KMT2AL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL25044387 0.77 RAB9A (0.44) KMT2AL3MBTL1WDR5PKMRAB9A
SCHEMBL828103 0.77 KDM5C (0.49) KMT2AL3MBTL1WDR5RAB9ANPC1
SCHEMBL25587530 0.75 LMNA (0.44) KMT2AL3MBTL1WDR5HDAC6RAB9A
SCHEMBL4892249 0.74 FBP1 (0.53) RAB9ANPC1HPGDSMN1; SMN2TP53
SCHEMBL25044388 0.74 SMN1; SMN2 (0.48) KMT2AL3MBTL1WDR5PKMRAB9A
SCHEMBL16565575 0.74 WDR5 (0.54) KMT2AWDR5HDAC1HDAC6RAB9A
SCHEMBL4905769 0.72 HTT (0.57) KMT2ARAB9ANPC1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-8557853-B2 Aryl fluoroethyl ureas acting as alpha 2 adrenergic agents ALLERGAN, INC. (US) 2013-10-15 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 US disclosed
US-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ALLERGHAN, INC. 2008-08-14 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-20080194650-A1 ARYL FLUOROETHYL UREAS ACTING AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2C, ADRA2A KMT2A 1150/4885L3MBTL1 3242/4885WDR5 3287/4885

“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.