SCHEMBL10259175

SCHEMBL10259175

O=[N+]([O-])c1ccc(P2(=O)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
BCHE P06276 3/20 0.56
ACHE P22303 3/20 0.56
BACE1 P56817 3/20 0.56
KDM4E B2RXH2 2/20 0.55
KCNJ1 P48048 1/20 0.51
NPBWR1 P48145 1/20 0.51
MCHR1 Q99705 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIGMAR1 Q99720 2/20 0.51

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 0.84 SIGMAR1 (0.59) ALDH1A1LMNAACHESIGMAR1
SCHEMBL5626457 0.82 ALDH1A1 (0.74) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL10259180 0.80 SIGMAR1 (0.50) ALDH1A1LMNABCHEACHEBACE1
SCHEMBL2635156 0.80 ALDH1A1 (0.52) ALDH1A1MAPTLMNASMN1; SMN2ACHE
SCHEMBL894517 0.80 SIGMAR1 (0.50) BCHEACHEBACE1KDM4EMCHR1
SCHEMBL25431096 0.80 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKDM4ESIGMAR1
SCHEMBL10291395 0.78 SIGMAR1 (0.47) ALDH1A1LMNABCHEACHEBACE1
SCHEMBL11901919 0.78 ALDH1A1 (0.48) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL1126947 0.76 POLB (0.75) ALDH1A1MAPTLMNASMN1; SMN2TDP1
SCHEMBL3545728 0.74 HRH3 (0.62) MAPTSMN1; SMN2BCHEACHEBACE1

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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885MAPT 3109/4885LMNA 3783/4885

“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.