SCHEMBL12378418

SCHEMBL12378418

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)N2CCC(F)(F)C2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
GRIN2B Q13224 2/20 0.34
XIAP P98170 2/20 0.33
BIRC2 Q13490 2/20 0.33
GRM2 Q14416 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
NTRK1 P04629 2/20 0.32
NPY4R P50391 1/20 0.32
CNR2 P34972 4/20 0.31
CACNA1H O95180 1/20 0.31
PRKAA2 P54646 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.30
KLKB1 P03952 1/20 0.30
KLK1 P06870 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
SCHEMBL12378391 0.95 NTRK1 (0.34) CCNCCDK8GRIN2BXIAPBIRC2
SCHEMBL12378715 0.94 CCNC (0.38) CCNCCDK8PIK3C3NPY4RCNR2
SCHEMBL12378706 0.89 CCNC (0.32) CCNCCDK8
SCHEMBL12378416 0.88 NTRK1 (0.36) GRIN2BXIAPBIRC2NTRK1CNR2
SCHEMBL12378412 0.88 NTRK1 (0.36) GRIN2BXIAPBIRC2NTRK1KMT2A
SCHEMBL12378427 0.88 NTRK1 (0.39) NTRK1CNR2KMT2A
SCHEMBL12378389 0.88 LIPG (0.35) CCNCCDK8GRIN2BNTRK1CNR2
SCHEMBL12378414 0.87 NTRK1 (0.36) XIAPBIRC2NTRK1CNR2
SCHEMBL12378403 0.86 NTRK1 (0.44) GRIN2BNTRK1CNR2
SCHEMBL12378420 0.85 CCNC (0.34) CCNCCDK8GRIN2BNTRK1CACNA1H

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 CCNC 438/4885CDK8 13/4885GRIN2B 3917/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI CCNC 186/4885CDK8 42/4885GRIN2B 3314/4885

“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.