SCHEMBL1593427

SCHEMBL1593427

COC(=O)c1nc(N)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
PLA2G2A P14555 2/20 0.41
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL13850893 0.92 LMNA (0.46) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL12703877 0.91 PLA2G2A (0.46) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL1593456 0.91 LMNA (0.44) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL1593357 0.91 LMNA (0.44) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL13851371 0.90 LMNA (0.43) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL13850975 0.90 LMNA (0.43) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL12703533 0.90 LMNA (0.43) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL13850970 0.89 MAPT (0.46) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL13850913 0.89 LMNA (0.43) LMNAHPGDPLA2G2AMAPTTDP1
SCHEMBL13850978 0.88 EGLN2 (0.42) LMNAHPGDPLA2G2AMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-7919623-B2 Naphthyridine derivatives having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2011-04-05 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2009-09-10 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
EP-1714966-A1 NAPHTHYLIDINE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY Shionogi Co., Ltd. (JP) 2006-10-25 EP 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 (2 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 LMNA 1842/4885HPGD 3035/4885PLA2G2A 4460/4885
US-20090227621-A1 Naphthyridine derivatives having inhibitory activity against hiv integrase PNP, CDKL1, ASNS LMNA 1421/4885HPGD 3041/4885PLA2G2A 3862/4885

“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.