SCHEMBL2983284

SCHEMBL2983284

OCCCN(c1ccc(F)cc1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
HDAC1 Q13547 2/20 0.39
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
FBP1 P09467 1/20 0.35
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL8229783 0.78 SIGMAR1 (0.49) ESR1ESR2SIGMAR1KCNH2
SCHEMBL27688641 0.77 FFAR1 (0.38) FFAR1FFAR4HDAC1ESR1ESR2
SCHEMBL2976681 0.76 SIGMAR1 (0.45) LMNASIGMAR1HTTKMT2AMEN1
SCHEMBL7535772 0.73 FBP1 (0.47) FBP1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL11176905 0.72 HDAC1 (0.42) FFAR1FFAR4HDAC1LMNAGAA
SCHEMBL27812591 0.71 FFAR1 (0.51) FFAR1FFAR4HDAC1LMNASMN1; SMN2
SCHEMBL2975777 0.70 FBP1 (0.41) FBP1LMNANPC1RAB9ASMN1; SMN2
Bromide SCHEMBL27812103 0.70 FFAR1 (0.50) FFAR1FFAR4HDAC1LMNASMN1; SMN2
SCHEMBL18939227 0.67 LMNA (0.46) LMNANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1991486 0.66 SCN1A (0.41) FFAR1FFAR4HDAC1FBP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 FFAR1 4738/4885FFAR4 4834/4885HDAC1 2422/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 FFAR1 4738/4885FFAR4 4834/4885HDAC1 2422/4885

“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.