SCHEMBL13435287

SCHEMBL13435287

CCOC(=O)c1c(O)c2cc(C(=O)NCc3cccc(OC)c3)cnc2n(O)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.50
PRKACA P17612 2/20 0.49
PRKX P51817 2/20 0.49
PRKCQ Q04759 2/20 0.49
ROCK1 Q13464 2/20 0.49
GRK5 P34947 1/20 0.49
MMP13 P45452 3/20 0.48
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3517034 0.90 KDM4E (0.47) HPGDLMNAKMT2ACYP2C9POLB
SCHEMBL13435288 0.84 P2RY12 (0.52) HPGDLMNAKMT2ATP53CYP3A4
SCHEMBL3517790 0.84 MAPT (0.48) LMNAKMT2ATP53MAPTSMN1; SMN2
SCHEMBL3516288 0.83 P2RY12 (0.49) LMNAKMT2APOLBSMN1; SMN2
SCHEMBL3517668 0.81 KDM4E (0.48) HPGDKMT2ATP53MAPT
SCHEMBL3516270 0.80 KDM4E (0.45) HPGDLMNAKMT2ACYP2C9POLB
SCHEMBL3516261 0.78 MEN1 (0.53) LMNAKMT2APOLBSMN1; SMN2HPGDS
SCHEMBL3517893 0.78 KDM4E (0.42) LMNAKMT2ATP53SMN1; SMN2
SCHEMBL3517830 0.78 MEN1 (0.51) LMNAKMT2APOLBSMN1; SMN2
SCHEMBL3517521 0.77 ALDH1A1 (0.44) HPGDLMNACYP3A4SMN1; SMN2

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 3 patents. 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
US-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK SHARP & DOHME CORP. 2010-03-04 US disclosed
WO-2008010964-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS MERCK & CO., INC. (US) 2008-01-24 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-20100056516-A1 1-HYDROXY NAPHTHYRIDINE COMPOUNDS AS ANTI-HIV AGENTS RNASEH1, RNASE1, RNASEL ROCK2 2531/4885PRKACA 4308/4885PRKX 4068/4885

“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.