SCHEMBL13833488

SCHEMBL13833488

O=C1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](c2ccncc2N=C=S)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
FPR1 P21462 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM5 P41594 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
SCHEMBL13833494 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL13833172 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL13833171 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL1723397 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL13833169 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL13833170 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL19371233 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL15838283 0.74 CYP11B2 (0.40) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1721426 0.74 CYP11B2 (0.50) ALDH1A1CYP3A4LMNAGAA
SCHEMBL1720874 0.74 CYP11B2 (0.50) ALDH1A1CYP3A4LMNAGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO 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-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 ALDH1A1 719/4885SMN1; SMN2 3773/4885FPR1 3260/4885

“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.