SCHEMBL4976587

SCHEMBL4976587

CCn1c(NC)nc2cc(N)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.63
RAD52 P43351 1/20 0.63
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
HTT P42858 3/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HBB P68871 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL5228756 0.80 LMNA (0.55) KDM4ERAD52ALDH1A1MAPTGAA
SCHEMBL209641 0.80 KDM4E (0.46) KDM4ERAD52ALDH1A1MAPTGAA
SCHEMBL616998 0.79 KDM4E (0.97) KDM4ERAD52ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL6605580 0.78 KDM4E (1.00) KDM4ERAD52ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL16736724 0.78 KDM4E (1.00) KDM4ERAD52ALDH1A1MAPTGAA
SCHEMBL4979124 0.76 IRAK4 (0.53) ALDH1A1MAPTKMT2ATDP1MEN1
SCHEMBL11440211 0.75 KDM4E (0.73) KDM4ERAD52ALDH1A1MAPTGAA
SCHEMBL6273746 0.75 KDM4E (0.43) KDM4ERAD52MAPTKMT2AMEN1
SCHEMBL13358850 0.74 KDM4E (0.61) KDM4ERAD52ALDH1A1MAPTGAA
SCHEMBL6622952 0.72 HTT (0.57) KDM4ERAD52ALDH1A1HTTKMT2A

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 8 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
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
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 KDM4E 617/4885RAD52 585/4885ALDH1A1 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.