SCHEMBL4980289

SCHEMBL4980289

Cn1c(N(C(=O)OC(C)(C)C)c2ccccc2)nc2cc(N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.41
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 2/20 0.36
HDAC1 Q13547 1/20 0.36
RORC P51449 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC11 Q96DB2 1/20 0.34
FGFR1 P11362 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
BTK Q06187 1/20 0.34
F2 P00734 1/20 0.34
PAX8 Q06710 1/20 0.33
ACSS2 Q9NR19 1/20 0.33

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
SCHEMBL4978515 0.90 BRD4 (0.38) HDAC6ALDH1A1BRD4NPC1L1KDM4E
SCHEMBL4978649 0.89 BRD4 (0.35) HDAC6ALDH1A1BRD4RORCNPC1L1
SCHEMBL4978242 0.89 BRD4 (0.35) HDAC6ALDH1A1BRD4HDAC1NPC1L1
SCHEMBL4982539 0.89 ALDH1A1 (0.42) ALDH1A1BRD4HDAC1NPC1L1KDM4E
SCHEMBL14274269 0.85 HDAC6 (0.40) HDAC6GSK3BBRD4HDAC1RORC
SCHEMBL5226357 0.85 HDAC6 (0.48) HDAC6ALDH1A1HDAC1KDM4EHDAC11
SCHEMBL14274200 0.85 HDAC6 (0.41) HDAC6ALDH1A1HDAC1KDM4EFGFR1
SCHEMBL4976760 0.83 ALDH1A1 (0.44) HDAC6ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14263321 0.80 BRD4 (0.34) HDAC6ALDH1A1BRD4KDM4ENPC1
SCHEMBL14493099 0.79 NPC1 (0.43) HDAC6KDM4ENPC1RAB9AF2

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-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 US disclosed
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 HDAC6 2842/4885GSK3B 1963/4885ALDH1A1 994/4885

“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.