SCHEMBL13833170

SCHEMBL13833170

Nc1cnccc1[C@H]1CCC[C@@H](N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TMEM97 Q5BJF2 3/20 0.39
HTR2B P41595 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTR2A P28223 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
FPR1 P21462 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL13833169 1.00 ALDH1A1 (0.40) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL1723397 1.00 ALDH1A1 (0.40) ALDH1A1TMEM97HTR2BHTR3EHTR3B
SCHEMBL19371233 0.83 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4
SCHEMBL2692672 0.81 TSHR (0.34) ALDH1A1TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL2692676 0.81 TSHR (0.34) ALDH1A1TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL2694107 0.81 TSHR (0.34) ALDH1A1TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL17115508 0.81 TSHR (0.34) ALDH1A1TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL1723165 0.81 TSHR (0.34) ALDH1A1TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL2694105 0.81 TSHR (0.34) ALDH1A1TMEM97HTR2BHTR2ASIGMAR1
SCHEMBL13833172 0.80 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2FPR1CYP1A2CYP3A4

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 719/4885TMEM97 2479/4885HTR2B 4330/4885

“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.