SCHEMBL522150

SCHEMBL522150

CS(=O)(=O)c1ncc2ccc(-c3ccccn3)n2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 5/20 0.36
HTR6 P50406 1/20 0.36
JAK2 O60674 1/20 0.35
PTGS1 P23219 2/20 0.35
INSR P06213 1/20 0.35
TGFBR1 P36897 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
METAP1 P53582 1/20 0.34

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
SCHEMBL522659 0.85 JAK2 (0.36) ALKLMNAJAK2INSR
SCHEMBL522423 0.84 JAK2 (0.40) ALKALDH1A1KDM4EJAK2INSR
SCHEMBL19221994 0.82 INSR (0.44) ALKNPC1MAPTRAB9APTGS2
SCHEMBL25326741 0.81 CCR1 (0.40) ALKPTGS2JAK2INSRCCR1
SCHEMBL31350304 0.81 CCR1 (0.40) ALKPTGS2JAK2INSRCCR1
SCHEMBL25327603 0.78 HTR6 (0.39) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL19221995 0.77 PTGS2 (0.43) ALDH1A1KDM4ELMNAMAPTPTGS2
SCHEMBL521498 0.76 JAK2 (0.55) ALKKDM4ELMNAJAK2INSR
SCHEMBL521784 0.76 LMNA (0.46) ALDH1A1KDM4ELMNANPC1MAPT
SCHEMBL521927 0.75 LMNA (0.41) ALKALDH1A1KDM4ELMNANPC1

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 ALK 2/4885ALDH1A1 779/4885KDM4E 192/4885

“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.