SCHEMBL2448409

SCHEMBL2448409

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@H](O)C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.54
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
HTT P42858 1/20 0.53
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL2448445 1.00 ALDH1A1 (0.55) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL2448446 1.00 ALDH1A1 (0.55) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL25174357 0.85 ALDH1A1 (0.52) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL27006651 0.84 ALDH1A1 (0.70) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL2061869 0.84 NPC1 (0.65) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL9976087 0.83 ALDH1A1 (0.73) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL30610305 0.83 ALDH1A1 (0.73) ALDH1A1LMNAPOLBNPC1KMT2A
Hydrochloric Acid SCHEMBL27620227 0.81 ALDH1A1 (0.51) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL21124439 0.79 ALDH1A1 (0.64) ALDH1A1LMNAPOLBNPC1KMT2A
SCHEMBL4626322 0.79 ALDH1A1 (0.64) ALDH1A1LMNAPOLBNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446401-B1 C5-modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
EP-1446401-A4 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines MASTALERZ HAROLD 2005-09-22 US disclosed
US-6908916-B2 C-5 modified indazolylpyrrolotriazines BRISTOL MYERS SQUIBB COMPANY (US) 2005-06-21 US disclosed
EP-1446401-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES Bristol-Myers Squibb Company (US) 2004-08-18 EP disclosed
US-20030186983-A1 C-5 Modified indazolylpyrrolotriazines BRISTOL-MYERS SQUIBB COMPANY 2003-10-02 US disclosed
WO-2003042172-A2 C-5 MODIFIED INDAZOLYLPYRROLOTRIAZINES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-22 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 (3 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-20030186983-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR ALDH1A1 2091/4885LMNA 4225/4885POLB 4605/4885
US-20050209235-A1 C-5 Modified indazolylpyrrolotriazines ERBB2, ERBB4, EGFR ALDH1A1 2381/4885LMNA 4309/4885POLB 4643/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS ALDH1A1 649/4885LMNA 3341/4885POLB 233/4885

“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.