SCHEMBL4976756

SCHEMBL4976756

Cn1c(Nc2ccccc2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.57
ALDH1A1 P00352 6/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
APOBEC3A P31941 1/20 0.54
HTT P42858 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
PKM P14618 3/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
EGFR P00533 2/20 0.50
CYP19A1 P11511 1/20 0.50
RIPK1 Q13546 1/20 0.50
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL4976545 0.88 NPC1 (0.50) HDAC6ALDH1A1LMNAMAPTKDM4E
SCHEMBL4978405 0.87 SMN1; SMN2 (0.50) HDAC6ALDH1A1LMNAMAPTKDM4E
SCHEMBL4978799 0.85 NPC1 (0.60) ALDH1A1LMNAMAPTNPSR1PKM
SCHEMBL4981793 0.85 CSNK1D (0.56) HDAC6ALDH1A1LMNAMAPTKDM4E
SCHEMBL8026313 0.84 ABCG2 (0.50) HDAC6ALDH1A1LMNAMAPTKDM4E
SCHEMBL209281 0.82 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EAPOBEC3A
SCHEMBL4981860 0.81 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EAPOBEC3A
SCHEMBL4981853 0.80 CRHBP (0.54) ALDH1A1LMNAMAPTKDM4EAPOBEC3A
SCHEMBL4980845 0.79 HDAC6 (0.61) HDAC6ALDH1A1LMNAMAPTKDM4E
SCHEMBL4977099 0.78 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKDM4EAPOBEC3A

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
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 HDAC6 2842/4885ALDH1A1 994/4885LMNA 3917/4885

“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.