SCHEMBL30675628

SCHEMBL30675628

Nc1n[nH]c2nc(C(F)(F)F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 1/20 0.37
MAT2A P31153 2/20 0.36
JAK2 O60674 5/20 0.35
JAK3 P52333 2/20 0.35
PDPK1 O15530 2/20 0.34
GAA P10253 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX7 Q99572 1/20 0.33
IKBKB O14920 2/20 0.33
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
ROCK2 O75116 1/20 0.32
CHEK2 O96017 1/20 0.32
EGFR P00533 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL26675398 1.00 L3MBTL1 (0.38) L3MBTL1KDM4EALDH1A1KMT2AMAT2A
SCHEMBL16680749 0.81 JAK2 (0.38) KDM4EKMT2AJAK2JAK3PDPK1
SCHEMBL29516485 0.81 JAK2 (0.38) KDM4EKMT2AJAK2JAK3PDPK1
SCHEMBL2955384 0.80 P2RX7 (0.33) ALDH1A1MAT2AGAAMAPTRAB9A
SCHEMBL1513037 0.76 ABCC8 (0.46) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL31207340 0.74 ADORA1 (0.46) KDM4EKMT2AJAK2JAK3PDPK1
SCHEMBL2634245 0.73 GAA (0.37) L3MBTL1KDM4EKMT2AMAT2AJAK2
SCHEMBL20481764 0.72 PTPN1 (0.53) CYP3A4
SCHEMBL2160239 0.71 KMT2A (0.53) KDM4EALDH1A1KMT2AJAK2PDPK1
SCHEMBL29727928 0.71 KMT2A (0.53) KDM4EALDH1A1KMT2AJAK2PDPK1

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-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 US claimed
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 US disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 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 (2 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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 L3MBTL1 4647/4885KDM4E 2850/4885ALDH1A1 203/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B L3MBTL1 4689/4885KDM4E 3127/4885ALDH1A1 439/4885

“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.