SCHEMBL4981850

SCHEMBL4981850

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
PKM P14618 4/20 0.51
KMT2A Q03164 5/20 0.50
LMNA P02545 3/20 0.50
MEN1 O00255 3/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 6/20 0.47
KDM4E B2RXH2 1/20 0.47
APOBEC3A P31941 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CYP19A1 P11511 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HPGD P15428 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
SCHEMBL209281 0.84 ALDH1A1 (0.54) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL4977099 0.81 ALDH1A1 (0.54) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL4981793 0.80 CSNK1D (0.56) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL4978556 0.80 ALDH1A1 (0.55) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL4976756 0.78 HDAC6 (0.57) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL588563 0.78 RAB9A (0.62) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL4976545 0.77 NPC1 (0.50) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL5226459 0.77 KMT2A (0.47) ALDH1A1PKMKMT2ALMNAMEN1
SCHEMBL4978822 0.77 ALDH1A1 (0.55) ALDH1A1PKMKMT2ALMNAMEN1
Ammonia Solution, Strong SCHEMBL20358007 0.77 RAB9A (0.60) ALDH1A1PKMKMT2ALMNAMEN1

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 ALDH1A1 994/4885PKM 1616/4885KMT2A 366/4885

“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.