SCHEMBL178349

SCHEMBL178349

O=C(CN1CCOCC1)N1CCC(CNc2ccc3ncc(-c4cccc(O)c4)n3n2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 17/20 0.77
PIM2 Q9P1W9 3/20 0.56
FYN P06241 3/20 0.53
FLT3 P36888 2/20 0.51
KCNH2 Q12809 2/20 0.51
PIM3 Q86V86 2/20 0.51
GAK O14976 1/20 0.51
STK10 O94804 1/20 0.51
YES1 P07947 1/20 0.51
RET P07949 1/20 0.51
PDGFRB P09619 1/20 0.51
CSNK2A2 P19784 1/20 0.51
ACVR1 Q04771 1/20 0.51
PKN1 Q16512 1/20 0.51
HASPIN Q8TF76 1/20 0.51
SIK2 Q9H0K1 1/20 0.51
SLK Q9H2G2 1/20 0.51
BMP2K Q9NSY1 1/20 0.51
PRKAG2 Q9UGJ0 1/20 0.51
RPS6KA6 Q9UK32 1/20 0.51

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
SCHEMBL102398 0.87 PIM1 (1.00) PIM1PIM2FLT3KCNH2PIM3
SCHEMBL2948202 0.82 FYN (0.74) PIM1PIM2FYNFLT3KCNH2
SCHEMBL178294 0.79 PIM1 (0.73) PIM1FYN
SCHEMBL178348 0.79 PIM1 (0.72) PIM1PIM2FYNFLT3KCNH2
SCHEMBL4695075 0.78 PIM1 (0.65) PIM1FYN
SCHEMBL22421475 0.77 PIM1 (0.82) PIM1PIM2FYNFLT3KCNH2
SCHEMBL16216058 0.75 PIM1 (0.71) PIM1PIM2FYNFLT3KCNH2
SCHEMBL178382 0.74 PIM1 (0.74) PIM1PIM2FYNFLT3KCNH2
SCHEMBL102695 0.74 PIM1 (1.00) PIM1PIM2FYNFLT3KCNH2
SCHEMBL2950822 0.73 PIM1 (0.83) PIM1PIM2FYNKCNH2

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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2012-03-08 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-20120058997-A1 IMIDAZO[1,2-B]PYRIDAZINE AND PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PIM1, PIM2, PIM3 PIM1 1/4885PIM2 2/4885FYN 472/4885

“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.