SCHEMBL5857624

SCHEMBL5857624

COc1ccc(C(=O)Nc2n[c]nc3nc[nH]c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.71
NT5C2 P49902 1/20 0.47
CREBBP Q92793 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDR P35968 2/20 0.46
F2 P00734 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
F10 P00742 1/20 0.44
AURKA O14965 1/20 0.43
DEGS1 O15121 1/20 0.43

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
SCHEMBL9230081 0.83 BRD4 (1.00) BRD4NT5C2CREBBPNPC1RAB9A
SCHEMBL18941360 0.82 BRD4 (0.56) BRD4NPC1RAB9AKMT2ATP53
SCHEMBL18941369 0.74 ADORA3 (0.44) BRD4NPC1RAB9AKMT2ATP53
SCHEMBL9230078 0.72 BRD4 (0.68) BRD4NPC1RAB9AKMT2ATP53
SCHEMBL11831247 0.71 NPC1 (0.68) NPC1RAB9AKMT2ATP53ALOX15
SCHEMBL13667383 0.71 BRD4 (0.57) BRD4NPC1RAB9AKMT2ATP53
SCHEMBL545883 0.69 NPC1 (0.38) BRD4NT5C2NPC1RAB9ATP53
SCHEMBL546075 0.68 XDH (0.53) NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL5860314 0.68 POLB (0.45) BRD4NPC1RAB9AKMT2ATP53
SCHEMBL11781274 0.66 HPGDS (0.66) BRD4NPC1RAB9AKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143038-B1 PEPTIDE-NUCLEIC ACID-MONOMERS AND -OLIGOMERS UGISENSE AG (DE) 2018-08-01 EP claimed
US-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGISENSE AG (DE) 2017-06-15 US claimed
US-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS UGISENSE AG (DE) 2017-06-15 US disclosed
US-7105648-B1 Oligomers substituted by phosphite acid ester, phosphonic acid or carbaborane functions and the corresponding PNA monomers UGICHEM GMBH (AU) 2006-09-12 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 (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-20170166900-A1 PEPTIDE NUCLEIC ACID MONOMERS AND OLIGOMERS DTYMK, POLM, PNKP BRD4 4676/4885NT5C2 250/4885CREBBP 3905/4885

“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.