SCHEMBL12378403

SCHEMBL12378403

CN1Cc2c(c(O)c3ncc(Cc4ccc(F)cc4)cc3c2C(=O)N2CCOCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.44
GRIN2B Q13224 3/20 0.38
CNR2 P34972 5/20 0.37
CNR1 P21554 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RIPK1 Q13546 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12378414 0.92 NTRK1 (0.36) NTRK1CNR2CNR1
SCHEMBL12378707 0.92 NTRK1 (0.36) NTRK1KDM4ENPC1RAB9A
SCHEMBL12378412 0.92 NTRK1 (0.36) NTRK1GRIN2B
SCHEMBL12378416 0.92 NTRK1 (0.36) NTRK1GRIN2BCNR2
SCHEMBL12378427 0.92 NTRK1 (0.39) NTRK1CNR2
SCHEMBL12378389 0.92 LIPG (0.35) NTRK1GRIN2BCNR2NPC1RAB9A
SCHEMBL12378391 0.89 NTRK1 (0.34) NTRK1GRIN2BCNR2CNR1
SCHEMBL12378418 0.86 CCNC (0.38) NTRK1GRIN2BCNR2
SCHEMBL12378352 0.86 CSNK1D (0.33) NTRK1CNR2
SCHEMBL12378716 0.86 PREP (0.37) NTRK1MAPT

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 NTRK1 4015/4885GRIN2B 3917/4885CNR2 4717/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI NTRK1 4334/4885GRIN2B 3314/4885CNR2 4794/4885

“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.