SCHEMBL21162001

SCHEMBL21162001

CC(C)c1cnc(-c2cn[nH]c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ PIM1 P11309 3/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ AKT1 P31749 4/20 0.41
▸ AKT2 P31751 2/20 0.41
▸ CHEK1 O14757 4/20 0.36
▸ CHEK2 O96017 2/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ FEN1 P39748 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ TPX2 Q9ULW0 1/20 0.34
▸ PRKD3 O94806 1/20 0.33

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
SCHEMBL21341311 0.79 AKT2 (0.46) MAPK8MAPK1PIM1PIM3PIM2
SCHEMBL21709594 0.76 PIM1 (0.43) MAPK8MAPK1PIM1PIM3PIM2
SCHEMBL18770686 0.76 FEN1 (0.54) MAPK8MAPK1PIM1PIM3PIM2
SCHEMBL13466361 0.74 MAPK8 (0.47) MAPK8MAPK1PIM1PIM3PIM2
SCHEMBL13086435 0.74 MAPK8 (0.43) MAPK8MAPK1PIM1PIM3PIM2
SCHEMBL17031771 0.72 MAPK8 (0.49) MAPK8MAPK1AKT1AKT2CHEK1
SCHEMBL15044972 0.72 AKT1 (0.45) MAPK8MAPK1PIM1PIM3PIM2
SCHEMBL8255871 0.72 IL4I1 (0.45) MAPK1FEN1
SCHEMBL15784442 0.72 CHRNA7 (0.34) TLR9TLR8TLR7FEN1
SCHEMBL23328977 0.71 — —

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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives GILEAD SCIENCES, INC. (US) 2019-07-02 — — 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-10336762-B2 Pyrrolo[1,2-b]pyridazine derivatives SDHB, CYP4F2, CYP1B1 MAPK8 4075/4885MAPK1 1817/4885PIM1 1345/4885

“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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