SCHEMBL5639552

SCHEMBL5639552

O=C(Cc1c(F)cccc1F)Nc1ccncc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.81
▸ DNMT3B Q9UBC3 1/20 0.77
▸ HTT P42858 2/20 0.59
▸ JAK2 O60674 2/20 0.59
▸ JAK1 P23458 2/20 0.59
▸ TYK2 P29597 2/20 0.59
▸ NOD2 Q9HC29 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ RAB9A P51151 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ GLS O94925 1/20 0.50
▸ BCHE P06276 1/20 0.50
▸ MAPK8 P45983 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL24173209 0.90 SMN1; SMN2 (1.00) SMN1; SMN2DNMT3BJAK2JAK1TYK2
SCHEMBL24173293 0.81 SMN1; SMN2 (0.67) SMN1; SMN2DNMT3BHTTJAK2JAK1
SCHEMBL30368438 0.81 SMN1; SMN2 (0.81) SMN1; SMN2DNMT3BJAK2JAK1TYK2
SCHEMBL30367890 0.79 SMN1; SMN2 (0.57) SMN1; SMN2DNMT3BHTTJAK2JAK1
SCHEMBL5641191 0.78 DNMT3B (0.58) SMN1; SMN2DNMT3BHTTJAK2JAK1
SCHEMBL14514323 0.77 KMT2A (0.70) SMN1; SMN2DNMT3BHTTJAK2JAK1
SCHEMBL2824904 0.75 DNMT3B (0.56) SMN1; SMN2DNMT3BHTTJAK2JAK1
SCHEMBL25902458 0.75 RAB9A (0.66) SMN1; SMN2DNMT3BKMT2ARAB9ANPC1
Benzene SCHEMBL11566961 0.75 EPHX2 (0.76) SMN1; SMN2HTTKMT2ARAB9ANPC1
SCHEMBL2205445 0.75 EPHX2 (0.76) SMN1; SMN2HTTKMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217722-B2 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2007-05-15 — — US disclosed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 — — US disclosed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 — — EP 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-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same TNK2, ROCK1, ROCK2 SMN1; SMN2 4516/4885DNMT3B 2713/4885HTT 1990/4885

“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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