SCHEMBL13833259

SCHEMBL13833259

N#CSc1cnccc1C1=C[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](F)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.32
GRM5 P41594 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
OPRM1 P35372 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
IKZF3 Q9UKT9 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13833544 0.83 CYP1A2 (0.44) CYP1A2GRM5PIM1PIM2ALDH1A1
SCHEMBL15913597 0.78 CYP1A2 (0.32) CYP1A2GRM5PIM1PIM2ALDH1A1
SCHEMBL15913596 0.78 CYP1A2 (0.32) CYP1A2GRM5PIM1PIM2ALDH1A1
SCHEMBL15913592 0.78 CYP1A2 (0.32) CYP1A2GRM5PIM1PIM2ALDH1A1
SCHEMBL15913994 0.77 DDB1 (0.37) CYP1A2GRM5ALDH1A1CHRM2OPRM1
SCHEMBL13833230 0.77 DDB1 (0.37) CYP1A2GRM5ALDH1A1CHRM2OPRM1
SCHEMBL15913993 0.77 DDB1 (0.37) CYP1A2GRM5ALDH1A1CHRM2OPRM1
SCHEMBL15913532 0.67 PIM1 (0.75) PIM1PIM2
SCHEMBL15913533 0.67 PIM1 (0.75) PIM1PIM2
SCHEMBL15913534 0.67 PIM1 (0.75) PIM1PIM2

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 5 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-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 CYP1A2 627/4885GRM5 3876/4885PIM1 1/4885

“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.