SCHEMBL519160

SCHEMBL519160

C[S+]([O-])c1ncc2ccc(-c3cccc(Cl)c3)n2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 4/20 0.43
DYRK1A Q13627 4/20 0.43
DYRK2 Q92630 4/20 0.43
DYRK1B Q9Y463 4/20 0.43
CCNT1 O60563 3/20 0.43
CDK9 P50750 3/20 0.43
CDK5 Q00535 3/20 0.43
CDK5R1 Q15078 3/20 0.43
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
EGLN2 Q96KS0 1/20 0.42
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL520195 0.87 MALT1 (0.37) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL3470162 0.86 CDK9 (0.42) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL520662 0.84 INSR (0.44) DYRK1ADYRK1BCDK9EGLN2SMN1; SMN2
SCHEMBL520344 0.82 DYRK1A (0.45) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL520240 0.81 KCNH2 (0.48) DYRK3DYRK1ADYRK2DYRK1BCCNT1
SCHEMBL3470160 0.80 FYN (0.47) DYRK1ACCNT1CDK9FYN
SCHEMBL520068 0.80 GAA (0.41) DYRK3DYRK1ADYRK2DYRK1BCDK5
SCHEMBL519625 0.78 JAK2 (0.48) SMN1; SMN2RAB9ANPC1KDM4EALDH1A1
SCHEMBL521544 0.78 JAK2 (0.47) SMN1; SMN2LMNAFYNJAK2INSR
SCHEMBL520885 0.78 MEN1 (0.39) KMT2AFYNJAK2INSRPTK2

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 DYRK3 1684/4885DYRK1A 1395/4885DYRK2 1032/4885

“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.