SCHEMBL4978773

SCHEMBL4978773

CC(=O)Oc1cccc(SC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP3A4 P08684 1/20 0.53
ACHE P22303 2/20 0.49
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RXFP1 Q9HBX9 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 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
SCHEMBL28960792 0.84 MEN1 (0.59) LMNAKMT2AMEN1HTTMAPT
SCHEMBL26622049 0.81 LMNA (0.38) LMNACYP3A4KMT2AMEN1HTT
SCHEMBL29609451 0.81 LMNA (0.61) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL1865178 0.80 LMNA (0.59) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL16828781 0.80 LMNA (0.52) LMNACYP3A4KMT2AMEN1HTT
SCHEMBL515476 0.78 ACHE (0.45) LMNACYP3A4ACHERXFP1ALDH1A1
SCHEMBL249305 0.76 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL17028900 0.76 LMNA (0.76) LMNACYP3A4ACHEKMT2AMEN1
SCHEMBL842358 0.75 MAPK1 (0.49) LMNAKMT2AMEN1HTTMAPT
SCHEMBL1714299 0.75 CYP3A4 (0.58) LMNACYP3A4ACHEKMT2AMEN1

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
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
EP-1487824-B1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-06-20 EP disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 US disclosed
EP-1487824-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-22 EP disclosed
WO-2003074515-A1 DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR LMNA 3917/4885CYP3A4 3874/4885ACHE 4808/4885

“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.