SCHEMBL178347

SCHEMBL178347

CCCN1CCC(CN)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.42
ADORA1 P30542 1/20 0.34
BRD4 O60885 2/20 0.33
FKBP1A P62942 1/20 0.33
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32
MYLK Q15746 1/20 0.32
CYP19A1 P11511 1/20 0.32
HTR1A P08908 1/20 0.31
BPTF Q12830 1/20 0.31

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
SCHEMBL14275837 0.79 GNAI3 (0.37) FKBP1ACYP19A1HTR1APOLBL3MBTL1
SCHEMBL21568500 0.78 NCF1 (0.48) NCF1BRD4PRKD3PRKCGPRKCB
SCHEMBL102222 0.78 NCF1 (0.37) NCF1BPTFPIM1
SCHEMBL22151683 0.72 FKBP1A (0.33) FKBP1AHTR1APOLBDRD2DRD4
SCHEMBL22151795 0.71 FKBP1A (0.41) FKBP1AHTR1AL3MBTL1
SCHEMBL16058256 0.71 L3MBTL1 (0.36) BRD4HTR1ADRD2DRD4DRD3
SCHEMBL23114507 0.71 CHRM2 (0.33) BRD4FKBP1ADRD2DRD4DRD3
SCHEMBL22421444 0.71 NCF1 (0.39) NCF1BPTF
SCHEMBL3447557 0.71 BPTF (0.41) BRD4BPTFPOLBMEN1KMT2A
SCHEMBL19480984 0.71 BRD4 (0.41) BRD4CYP19A1HTR1APOLBMEN1

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 NCF1 3484/4885ADORA1 868/4885BRD4 832/4885

“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.