SCHEMBL5423116

SCHEMBL5423116

CCN(CC)C(=O)c1cncc(-c2cccc(NC(C)=O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 1/20 0.54
PIP4K2B P78356 1/20 0.54
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
FYN P06241 3/20 0.52
BRAF P15056 6/20 0.51
CYP17A1 P05093 5/20 0.49
CYP11B2 P19099 2/20 0.49
CYP11B1 P15538 1/20 0.49
NTRK1 P04629 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
STAT1 P42224 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5424860 0.82 KDM1A (0.54) FYNNPC1TP53STAT1RAB9A
SCHEMBL14217675 0.81 PIP4K2A (0.56) PIP4K2APIP4K2BFYNBRAFCYP17A1
SCHEMBL5429719 0.80 HPGD (0.49) ABL1BCRCYP11B2
SCHEMBL5425109 0.80 ABL1 (0.51) ABL1BCR
SCHEMBL5429432 0.80 HPGD (0.49) ABL1BCRNPC1TP53RAB9A
SCHEMBL5428475 0.80 HPGD (0.49) ABL1BCR
SCHEMBL5426800 0.78 RXRA (0.53) ABL1BCRCYP11B2CYP11B1NPC1
SCHEMBL5423501 0.77 BRD4 (0.48) ABL1BCRCYP11B2CYP11B1
SCHEMBL13273354 0.76 PIP4K2A (0.54) PIP4K2APIP4K2BFYNBRAFCYP17A1
SCHEMBL4189391 0.76 PIP4K2A (0.62) PIP4K2APIP4K2BFYNBRAFCYP17A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032527-A1 METHOD OF INHIBITING ANGIOGENESIS HAVIV FORTUNA 2007-02-08 US claimed
EP-1551404-A2 METHOD OF INHIBITING ANGIOGENESIS Abbott Laboratories (US) 2005-07-13 EP claimed
US-20040116479-A1 Method of inhibiting angiogenesis ABBOTT LABORATORIES 2004-06-17 US claimed
WO-2004032908-A2 METHOD OF INHIBITING ANGIOGENESIS ABBOTT LABORATORIES (US) 2004-04-22 WO claimed
US-20040067985-A1 Method of inhibiting angiogenesis ABBOT LABORATORIES 2004-04-08 US claimed
US-20070043089-A1 METHOD OF INHIBITING ANGIOGENESIS HAVIV FORTUNA 2007-02-22 US disclosed
US-20070032527-A1 METHOD OF INHIBITING ANGIOGENESIS HAVIV FORTUNA 2007-02-08 US disclosed
US-20040116479-A1 Method of inhibiting angiogenesis ABBOTT LABORATORIES 2004-06-17 US disclosed
US-20040067985-A1 Method of inhibiting angiogenesis ABBOT LABORATORIES 2004-04-08 US 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 (3 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-20070032527-A1 METHOD OF INHIBITING ANGIOGENESIS PGF, VEGFA, FLT4 PIP4K2A 1780/4885PIP4K2B 1682/4885ABL1 660/4885
US-20070043089-A1 METHOD OF INHIBITING ANGIOGENESIS PGF, VEGFA, FLT4 PIP4K2A 1780/4885PIP4K2B 1682/4885ABL1 660/4885
US-20040067985-A1 Method of inhibiting angiogenesis VEGFA, PGF, FLT4 PIP4K2A 2082/4885PIP4K2B 2001/4885ABL1 1112/4885

“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.