SCHEMBL12378375

SCHEMBL12378375

CN(C)C(=O)c1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.34
CSF1R P07333 3/20 0.31
TACR1 P25103 2/20 0.31
GRIN2B Q13224 2/20 0.31
NTRK1 P04629 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PARP1 P09874 2/20 0.31
CNR2 P34972 2/20 0.30
CNR1 P21554 1/20 0.30
BTK Q06187 2/20 0.30
XIAP P98170 1/20 0.30
BIRC2 Q13490 1/20 0.30

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
SCHEMBL12378701 0.92 KDM5A (0.35) KDM5ACSF1RTACR1HSP90AB1PARP1
SCHEMBL12378377 0.83 SLC2A1 (0.37) KDM5A
SCHEMBL14384961 0.83 GRM2 (0.34) CSF1RNTRK1PARP1CNR2BTK
SCHEMBL12418392 0.83 CSF1R (0.35) CSF1RNTRK1PARP1CNR2BTK
SCHEMBL12378262 0.83 GRM2 (0.35) CSF1RGRIN2BPARP1CNR2CNR1
SCHEMBL12378380 0.83 TACR1 (0.33) TACR1GRIN2BNTRK1CNR2
SCHEMBL12378256 0.82 PARP1 (0.33) CSF1RPARP1
SCHEMBL12378318 0.81 PARP1 (0.32) CSF1RPARP1BTK
SCHEMBL12378307 0.79 RIPK3 (0.34) CSF1RNTRK1BTK
SCHEMBL12415956 0.79 PARP1 (0.30) PARP1

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 KDM5A 2327/4885CSF1R 4535/4885TACR1 4558/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KDM5A 1904/4885CSF1R 4248/4885TACR1 4535/4885

“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.