SCHEMBL12418392

SCHEMBL12418392

CNc1c2c(c(O)c3ncc(Cc4ccc(F)cc4)cc13)C(=O)NC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 6/20 0.35
BTK Q06187 3/20 0.33
NTRK1 P04629 1/20 0.32
PARP1 P09874 1/20 0.32
KDR P35968 2/20 0.32
GRM2 Q14416 1/20 0.32
PDGFRB P09619 1/20 0.32
TYK2 P29597 1/20 0.31
CNR2 P34972 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MET P08581 1/20 0.31
TEK Q02763 1/20 0.30
ROCK2 O75116 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
SCHEMBL12378307 0.90 RIPK3 (0.34) CSF1RBTKNTRK1PIK3CDPIK3CA
SCHEMBL14384961 0.86 GRM2 (0.34) CSF1RBTKNTRK1PARP1GRM2
SCHEMBL12378262 0.86 GRM2 (0.35) CSF1RPARP1GRM2CNR2GPR55
SCHEMBL12378375 0.83 KDM5A (0.34) CSF1RBTKNTRK1PARP1CNR2
SCHEMBL12378318 0.83 PARP1 (0.32) CSF1RBTKPARP1
SCHEMBL12378499 0.82 GAA (0.32) NTRK1PARP1GRM2
SCHEMBL12378256 0.81 PARP1 (0.33) CSF1RPARP1
SCHEMBL12378298 0.81 GRM2 (0.34) PARP1GRM2CNR2GPR55ROCK2
SCHEMBL12418485 0.81 CSNK1D (0.34) NTRK1GRM2CNR2GPR55ROCK2
SCHEMBL12415956 0.80 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 2 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-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 US 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 (1 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 CSF1R 4535/4885BTK 1835/4885NTRK1 4015/4885

“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.