SCHEMBL18812005

SCHEMBL18812005

CCn1cnc2c(-c3cnn(CC(C)C)c3)cn(-c3ccc(OC(F)(F)F)cc3)c(=O)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.46
▸ BCR P11274 1/20 0.46
▸ NPBWR1 P48145 2/20 0.36
▸ MCHR1 Q99705 2/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ ADORA2B P29275 7/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ P2RY1 P47900 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ RXRA P19793 1/20 0.33

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
SCHEMBL16475039 0.93 ABL1 (0.37) ABL1BCRNPBWR1MCHR1PDK2
SCHEMBL22421237 0.90 ADORA2B (0.39) ABL1BCRNPBWR1MCHR1ADORA2B
SCHEMBL16475040 0.88 JAK2 (0.37) ABL1BCRNPBWR1MCHR1PDK2
SCHEMBL16474986 0.87 ABL1 (0.41) ABL1BCRNPBWR1MCHR1GRM5
SCHEMBL16479499 0.87 ABL1 (0.47) ABL1BCRNPBWR1MCHR1PDK2
SCHEMBL17803745 0.85 ADORA2B (0.37) ABL1BCRNPBWR1MCHR1PDK2
SCHEMBL18812103 0.83 PRKACA (0.35) ABL1PDK2MAPK1FGFR1
SCHEMBL17803742 0.82 ABL1 (0.40) ABL1BCRNPBWR1MCHR1ADORA2B
SCHEMBL16475038 0.82 GRK2 (0.37) ABL1BCRNPBWR1MCHR1GRM5
SCHEMBL16479503 0.81 ABL1 (0.46) ABL1BCRNPBWR1MCHR1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 — — 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-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 ABL1 3203/4885BCR 4359/4885NPBWR1 3131/4885

“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.

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