SCHEMBL3515702

SCHEMBL3515702

O=c1cc(NCc2ccccc2Cl)c2cccnc2n1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
MAPT P10636 4/20 0.47
CD38 P28907 1/20 0.44
GRM2 Q14416 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3514761 0.86 KDM4E (0.40) KDM4EMAPTCD38L3MBTL1TP53
SCHEMBL3516789 0.83 IDH1 (0.47) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL3516223 0.83 BACE1 (0.49) KDM4EMAPTCD38GRM2HDAC3
SCHEMBL3515711 0.82 CTSB (0.46) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL3517421 0.80 ADRA2C (0.43) PTGDR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3519288 0.78 HDAC3 (0.44) KDM4EMAPTPTGDR2HDAC3HDAC1
SCHEMBL3538616 0.78 KMT2A (0.46) KDM4EMAPTHDAC3HDAC1HDAC2
SCHEMBL3514363 0.76 RAB9A (0.47) KDM4EMAPTGRM2HDAC1HDAC6
SCHEMBL3519313 0.75 NCF1 (0.47) KDM4EMAPTCD38GRM2RXFP1
SCHEMBL3514619 0.75 ADRA2C (0.44) KDM4EL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL KDM4E 2380/4885MAPT 3237/4885CD38 837/4885

“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.