SCHEMBL5995241

SCHEMBL5995241

O=C(Nc1cnc(Nc2ccc(S(=O)(=O)N3CCNCC3)cc2)nc1)c1cc(O)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GFER P55789 1/20 0.56
▸ ABL1 P00519 2/20 0.52
▸ SRC P12931 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ IKBKB O14920 6/20 0.49
▸ CHUK O15111 6/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KMT2A Q03164 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ F13A1 P00488 1/20 0.44
▸ TGM2 P21980 1/20 0.44
▸ TGM1 P22735 1/20 0.44

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
SCHEMBL5997842 0.84 KDR (0.52) ABL1SRC
Hydrochloric Acid SCHEMBL5999389 0.83 KDR (0.51) ABL1SRC
SCHEMBL5996220 0.78 SRC (0.56) LMNAALDH1A1KDM4EGFERABL1
SCHEMBL5995458 0.78 SRC (0.56) LMNAALDH1A1KDM4EGFERABL1
SCHEMBL5996242 0.77 ALDH1A1 (0.48) LMNAALDH1A1KDM4EGFERABL1
SCHEMBL5997830 0.75 TGM2 (0.52) ALDH1A1KDM4EKMT2AF13A1TGM2
SCHEMBL5998458 0.75 MAPK14 (0.56) ABL1SRC
SCHEMBL2498483 0.75 BTK (0.51) LMNAALDH1A1ABL1SRC
SCHEMBL2498581 0.75 BTK (0.47) LMNAALDH1A1ABL1SRCIKBKB
SCHEMBL14490343 0.74 IKBKB (0.47) ABL1SRCIKBKBCHUKF13A1

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-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 — — 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK LMNA 4816/4885ALDH1A1 3321/4885KDM4E 1405/4885

“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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