SCHEMBL12378262

SCHEMBL12378262

COc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.35
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1G2 P78368 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
KIT P10721 1/20 0.34
MCHR1 Q99705 1/20 0.34
CSF1R P07333 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
IMPDH2 P12268 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
FYN P06241 1/20 0.32
NQO2 P16083 1/20 0.32
ROCK2 O75116 2/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL12378298 0.93 GRM2 (0.34) GRM2CSNK1A1CSNK1DCSNK1G2CNR1
SCHEMBL12378336 0.88 PARP1 (0.38) PARP1
SCHEMBL14384961 0.86 GRM2 (0.34) GRM2CNR2GPR55CSF1RROCK2
SCHEMBL12418392 0.86 CSF1R (0.35) GRM2CNR2GPR55CSF1RROCK2
SCHEMBL12378261 0.85 TYK2 (0.36) GRM2CSNK1A1CSNK1DCSNK1G2ROCK2
SCHEMBL12378676 0.83 CSF1R (0.35) CSF1R
SCHEMBL12378318 0.83 PARP1 (0.32) CSF1RPARP1
SCHEMBL12378375 0.83 KDM5A (0.34) CNR1CNR2CSF1RGRIN2BPARP1
SCHEMBL12378307 0.82 RIPK3 (0.34) CSF1R
SCHEMBL12378499 0.82 GAA (0.32) GRM2TDP1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US disclosed
WO-2007136714-A2 INTEGRASE INHIBITORS GILEAD SCIENCES, INC. (US) 2007-11-29 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 (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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS GRM2 4726/4885CSNK1A1 1456/4885CSNK1D 1479/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI GRM2 4745/4885CSNK1A1 431/4885CSNK1D 388/4885

“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.