SCHEMBL520682

SCHEMBL520682

CSc1ncc2ccc(C(O)c3ccccc3)n2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 7/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HTT P42858 2/20 0.32
DHODH Q02127 1/20 0.32
IDO1 P14902 2/20 0.32
NTRK1 P04629 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL16542597 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDNPSR1
SCHEMBL519876 0.76 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2CYP3A4CYP2D6
SCHEMBL19876452 0.71 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL519978 0.69 MAPK1 (0.44) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL20910327 0.69 POLB (0.33) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL25327119 0.69 KDM4E (0.32) KDM4EPOLB
SCHEMBL521234 0.69 MEN1 (0.40) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL521646 0.68 JAK2 (0.38) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL521927 0.68 LMNA (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL18078330 0.67 KDM4E (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB

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 779/4885KDM4E 192/4885SMN1; SMN2 4722/4885

“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.