SCHEMBL3515512

SCHEMBL3515512

O=c1cc(NC2CCc3ccccc32)c2cccnc2n1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
NSD2 O96028 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CDC25B P30305 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 2/20 0.43
JAK2 O60674 2/20 0.42
JAK3 P52333 2/20 0.42

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
SCHEMBL3517502 0.94 CD38 (0.48) KDM4EALDH1A1TSHRSMN1; SMN2AURKA
SCHEMBL15170510 0.85 CYP3A4 (0.44) CYP3A4NSD2KDM4EMEN1ALDH1A1
SCHEMBL2027531 0.80 GBA1 (0.48) CYP3A4NSD2KDM4EMEN1ALDH1A1
SCHEMBL15170500 0.79 CD38 (0.44) CYP3A4KDM4EALDH1A1MAPTTSHR
SCHEMBL3520091 0.74 CNR1 (0.42) KDM4EALDH1A1RPS6KB1SCN8A
SCHEMBL16749077 0.72 FEN1 (0.31)
SCHEMBL18136095 0.72 FEN1 (0.47) KDM4EMEN1ALDH1A1KMT2ACYP2C9
SCHEMBL3517491 0.72 KDM4E (0.51) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL3518140 0.71 FEN1 (0.44) CYP3A4KDM4EMEN1ALDH1A1TP53
SCHEMBL3517392 0.70 ROCK2 (0.52) KDM4ESCN1ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10980754-B2 Anti-fungal compounds SAINT LOUIS UNIVERSITY (US) 2021-04-20 US disclosed
US-10463664-B2 Inhibitors of HSV nucleotidyl transferases and uses therefor SAINT LOUIS UNIVERSITY (US) 2019-11-05 US disclosed
US-20190099385-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2019-04-04 US disclosed
WO-2017184752-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2017-10-26 WO disclosed
US-20160296521-A1 INHIBITORS OF HSV NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2016-10-13 US disclosed
US-20160296521-A1 INHIBITORS OF HSV NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2016-10-13 US disclosed
WO-2015077774-A1 INHIBITORS OF HSV NUCLEOTIDYL TRANSFERASES AND USES THEREFOR SAINT LOUIS UNIVERSITY (US) 2015-05-28 WO disclosed
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 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 (5 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL CYP3A4 857/4885NSD2 1187/4885KDM4E 2380/4885
US-20190099385-A1 ANTI-FUNGAL COMPOUNDS ERG28, NANS, DPM1 CYP3A4 1898/4885NSD2 1244/4885KDM4E 2966/4885
US-20160296521-A1 INHIBITORS OF HSV NUCLEOTIDYL TRANSFERASES AND USES THEREFOR TYMP, TYMS, NAMPT CYP3A4 1733/4885NSD2 2102/4885KDM4E 1902/4885
US-10980754-B2 Anti-fungal compounds ERG28, NANS, DPM1 CYP3A4 1898/4885NSD2 1244/4885KDM4E 2966/4885
US-10463664-B2 Inhibitors of HSV nucleotidyl transferases and uses therefor TYMP, TYMS, NAMPT CYP3A4 1733/4885NSD2 2102/4885KDM4E 1902/4885

“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.