SCHEMBL10291395

SCHEMBL10291395

O=Nc1ccc(P2(=O)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
ACHE P22303 4/20 0.43
BACE1 P56817 3/20 0.43
MC4R P32245 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
BCHE P06276 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL894392 0.86 SIGMAR1 (0.59) SIGMAR1ACHEMC4RKMT2ADRD4
SCHEMBL10259180 0.82 SIGMAR1 (0.50) SIGMAR1ACHEBACE1MC4RKMT2A
SCHEMBL894517 0.82 SIGMAR1 (0.50) SIGMAR1ACHEBACE1KMT2ABCHE
SCHEMBL25431096 0.82 ALDH1A1 (0.52) SIGMAR1KMT2ALMNAALDH1A1CYP3A4
SCHEMBL10259175 0.78 ALDH1A1 (0.56) SIGMAR1ACHEBACE1LMNABCHE
SCHEMBL13668181 0.75 DRD4 (0.70) SIGMAR1GAADRD4
SCHEMBL25430929 0.73 LIPG (0.43) SIGMAR1ACHEMC4RGAALMNA
SCHEMBL895077 0.72 SIGMAR1 (0.61) SIGMAR1ACHEMC4RDRD4LMNA
SCHEMBL18574648 0.72 SIGMAR1 (0.61) SIGMAR1MC4RKMT2ADRD4LMNA
SCHEMBL1491819 0.70 SIGMAR1 (0.47) SIGMAR1ACHEKMT2ADRD4ALDH1A1

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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SIGMAR1 4165/4885ACHE 4870/4885BACE1 4411/4885

“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.