SCHEMBL30675639

SCHEMBL30675639

Nc1n[nH]c2nc(-c3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 2/20 0.51
PDPK1 O15530 2/20 0.51
AURKA O14965 2/20 0.51
TGFBR1 P36897 1/20 0.51
GSK3A P49840 3/20 0.51
GSK3B P49841 3/20 0.51
JAK2 O60674 2/20 0.49
LIMK1 P53667 2/20 0.45
MAP4K4 O95819 1/20 0.45
CSF1R P07333 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
LTK P29376 1/20 0.45
KDR P35968 1/20 0.45
MAPK8 P45983 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK5 Q00535 1/20 0.45
ACVR1 Q04771 1/20 0.45
TNK2 Q07912 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL13329926 1.00 AURKB (0.51) AURKBPDPK1AURKATGFBR1GSK3A
SCHEMBL1322568 0.86 MEN1 (0.43) AURKBPDPK1AURKATGFBR1GSK3A
SCHEMBL12035265 0.84 GSK3A (0.52) AURKBGSK3AGSK3BMAP4K4CSF1R
SCHEMBL7256654 0.83 IKBKB (0.46) AURKBPDPK1AURKATGFBR1GSK3A
SCHEMBL492336 0.77 GSK3B (0.56) AURKBGSK3AGSK3BLIMK1PDGFRA
SCHEMBL16471732 0.77 LIMK1 (0.40) AURKBPDPK1AURKATGFBR1GSK3A
SCHEMBL12290752 0.76 MAP2K4 (0.53) GSK3AGSK3BMAPK1ALKFEN1
SCHEMBL13329661 0.75 ACHE (0.59) AURKBPDPK1AURKATGFBR1GSK3A
SCHEMBL29649199 0.75 ACHE (0.59) AURKBPDPK1AURKATGFBR1GSK3A
SCHEMBL7260405 0.74 JAK2 (0.51) AURKBPDPK1AURKATGFBR1GSK3A

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 2 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 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 AURKB 3338/4885PDPK1 1700/4885AURKA 2686/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B AURKB 1031/4885PDPK1 888/4885AURKA 1205/4885

“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.