SCHEMBL5495460

SCHEMBL5495460

NC(=O)Nc1nc2cncnc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 7/20 0.33
NPC1 O15118 7/20 0.33
RAB9A P51151 7/20 0.33
PKM P14618 1/20 0.33
MAOB P27338 1/20 0.33
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TP53 P04637 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
IKBKB O14920 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL13134201 0.81 GSTO1 (0.36) CYP3A4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL13134203 0.80 BAZ1A (0.37) CYP3A4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL4517468 0.79 CYP3A4 (0.30) CYP3A4
SCHEMBL4957408 0.78 SMN1; SMN2 (0.36) CYP3A4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL5495466 0.78 CYP3A4 (0.49) CYP3A4LMNASMN1; SMN2NPC1RAB9A
SCHEMBL13134383 0.77 CYP3A4 (0.31) CYP3A4LMNASMN1; SMN2
SCHEMBL788917 0.76 PKN1 (0.33) IKBKBMAPK1
SCHEMBL9654498 0.75 EGFR (0.40) CYP3A4
SCHEMBL31268919 0.72 HSD17B10 (0.40) CYP3A4LMNAALDH1A1HSD17B10KDM4E
SCHEMBL12503869 0.72 HSD17B10 (0.40) CYP3A4LMNAALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7303739-B2 Prodrugs for liver specific drug delivery METABASIS THERAPEUTICS, INC. (US) 2007-12-04 US disclosed
US-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2005-05-12 US disclosed
US-6752981-B1 CYCLIC PHOSPH(ORAMID)ATE PRODRUGS HAVING ALCOHOL, AMINE, ORTHIOL GROUPS ATTACHED TO THE PHOSPHORUS IN THE C3N2P OR C3O2P RING METABASIS THERAPEUTICS, INC. 2004-06-22 US disclosed
EP-1210354-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY Metabasis Therapeutics, Inc. (US) 2002-06-05 EP disclosed
WO-2001018013-A1 PRODRUGS FOR LIVER SPECIFIC DRUG DELIVERY METABASIS THERAPEUTICS, INC. (US) 2001-03-15 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-20050101775-A1 Cyclic phosph(oramid)ate prodrugs having alcohol, amine, orthiol groups attached to phosphorus; camptothecins; pharmacodynamic half-life; diagnostic imaging PYGL, PHOSPHO1, OAT CYP3A4 94/4885LMNA 3367/4885SMN1; SMN2 3660/4885

“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.