SCHEMBL31541577

SCHEMBL31541577

CN1CCC(O)(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 20/20 1.00
KCNH2 Q12809 4/20 0.72
FLT3 P36888 2/20 0.72
PIM3 Q86V86 2/20 0.72
PIM2 Q9P1W9 2/20 0.72
GAK O14976 1/20 0.72
STK10 O94804 1/20 0.72
YES1 P07947 1/20 0.72
RET P07949 1/20 0.72
PDGFRB P09619 1/20 0.72
CSNK2A2 P19784 1/20 0.72
ACVR1 Q04771 1/20 0.72
PKN1 Q16512 1/20 0.72
HASPIN Q8TF76 1/20 0.72
SIK2 Q9H0K1 1/20 0.72
SLK Q9H2G2 1/20 0.72
BMP2K Q9NSY1 1/20 0.72
PRKAG2 Q9UGJ0 1/20 0.72
RPS6KA6 Q9UK32 1/20 0.72
IRAK3 Q9Y616 1/20 0.72

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
SCHEMBL102539 1.00 PIM1 (1.00) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL14653620 0.90 PIM1 (0.81) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL24736882 0.88 PIM1 (0.79) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL29555958 0.88 PIM1 (0.79) PIM1KCNH2FLT3PIM3PIM2
Sgi-1776 SCHEMBL29353896 0.83 PIM1 (1.00) PIM1KCNH2FLT3PIM3PIM2
Sgi-1776 SCHEMBL102498 0.83 PIM1 (1.00) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL103384 0.81 PIM1 (0.69) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL12761389 0.81 PIM1 (0.74) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL2948807 0.81 PIM1 (1.00) PIM1KCNH2FLT3PIM3PIM2
SCHEMBL103225 0.80 PIM1 (0.85) PIM1KCNH2FLT3PIM3PIM2

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-20250129085-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS SUMITOMO PHARMA AMERICA INC (US) 2025-04-24 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-20250129085-A1 SUBSTITUTED IMIDAZO[1,2-B]PYRIDAZINES AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885KCNH2 1832/4885FLT3 120/4885

“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.