SCHEMBL8508590

SCHEMBL8508590

O=C(NCCc1ccccc1)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 1/20 0.65
RAB9A P51151 6/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
GAA P10253 1/20 0.61
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ADRB1 P08588 2/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 4/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
NAMPT P43490 1/20 0.55
TBXAS1 P24557 2/20 0.54
ADRB2 P07550 1/20 0.52
ADRB3 P13945 1/20 0.52
ADH5 P11766 1/20 0.52
MLYCD O95822 1/20 0.52
DRD2 P14416 1/20 0.52

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
SCHEMBL9364213 0.87 CYP4Z1 (0.64) CYP4Z1HDAC2HDAC8HDAC6ADRB1
Hydrochloric Acid SCHEMBL9367421 0.86 CYP4Z1 (0.63) CYP4Z1HDAC2HDAC8HDAC6ADRB1
SCHEMBL9364539 0.85 CYP4Z1 (0.59) CYP4Z1ADRB1MAPTL3MBTL1ADRB2
Water SCHEMBL9367484 0.84 CYP4Z1 (0.58) CYP4Z1ADRB1MAPTL3MBTL1ADRB2
Water SCHEMBL9367478 0.84 CYP4Z1 (0.58) CYP4Z1ADRB1MAPTL3MBTL1ADRB2
SCHEMBL5947724 0.83 EPHX2 (0.64) CYP4Z1ADRB1MAPTL3MBTL1ADRB2
SCHEMBL8781065 0.82 CYP4Z1 (0.57) CYP4Z1ADRB1MAPTL3MBTL1MEN1
SCHEMBL4674989 0.82 CYP3A4 (0.60) CYP4Z1GAAADRB1MAPTL3MBTL1
SCHEMBL7704926 0.81 CYP19A1 (0.64) CYP4Z1RAB9ASMN1; SMN2GAAHDAC2
Hydrochloric Acid SCHEMBL8781047 0.81 CYP4Z1 (0.56) CYP4Z1ADRB1MAPTL3MBTL1MEN1

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
US-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-11-18 US disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 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-20100292269-A1 BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC3, BIRC2 CYP4Z1 4313/4885RAB9A 949/4885SMN1; SMN2 3550/4885

“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.