SCHEMBL521040

SCHEMBL521040

O=S(=O)(c1cccc(-c2ccc3cnc(O)nn23)c1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.44
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
IL1RN P18510 1/20 0.43
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 4/20 0.43
USP2 O75604 2/20 0.43
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
GLA P06280 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL520063 0.90 POLB (0.49) ALDH1A1MAPK1TSHRLMNAHTT
SCHEMBL519674 0.82 KCNH2 (0.55) JAK2
SCHEMBL521685 0.81 JAK2 (0.42) JAK2
SCHEMBL520602 0.80 KCNH2 (0.44) JAK2
SCHEMBL521217 0.78 BRD4 (0.46) ALDH1A1MAPK1TSHRLMNAHTT
SCHEMBL520603 0.78 JAK2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19JAK2
SCHEMBL521613 0.77 JAK2 (0.53) ALDH1A1SMN1; SMN2MAPK1TSHRLMNA
SCHEMBL520134 0.77 JAK2 (0.60) ALDH1A1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL520683 0.76 INSR (0.68) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL519159 0.75 JAK2 (0.75) CYP3A4JAK2

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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP 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 779/4885SMN1; SMN2 4722/4885MAPK1 264/4885

“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.