SCHEMBL25636281

SCHEMBL25636281

CC(C)c1ccnc2c(C(F)(F)F)cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.49
▸ PARP1 P09874 1/20 0.46
▸ NR1H2 P55055 8/20 0.46
▸ NR1H3 Q13133 8/20 0.46
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ LIMK1 P53667 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ STK3 Q13188 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ BRSK1 Q8TDC3 1/20 0.42

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
SCHEMBL24910166 0.87 SLC40A1 (0.44) NCF1PARP1NR1H2NR1H3PSMD14
SCHEMBL5548572 0.81 NCF1 (0.45) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL12128843 0.80 LMNA (0.45) PSMD14COPS5TNFCYP3A4CYP2C19
SCHEMBL21173367 0.79 PARP1 (0.41) PARP1GSK3AGSK3BPRKD3MAP4K4
SCHEMBL9033424 0.77 PSMD14 (0.62) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL12131703 0.77 HTR1A (0.53) PARP1PSMD14COPS5MEN1KMT2A
SCHEMBL16248304 0.77 NCF1 (0.52) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL13409380 0.76 NCF1 (0.46) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL2876591 0.76 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A
SCHEMBL317787 0.76 NCF1 (0.51) NCF1PARP1NR1H2NR1H3GSK3A

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-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 — — 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-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 NCF1 1663/4885PARP1 2338/4885NR1H2 881/4885

“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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