SCHEMBL520581

SCHEMBL520581

COC(=O)c1cc2ccccc2n1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 6/20 0.48
ALOX12 P18054 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 4/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CCR6 P51684 1/20 0.40

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
SCHEMBL10290952 0.84 SMN1; SMN2 (0.43) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL28042019 0.80 ALDH1A1 (0.52) MAPTKMT2AALDH1A1ALOX12KDM4E
SCHEMBL30020977 0.77 ALDH1A1 (0.46) MAPTKMT2AALDH1A1ALOX12KDM4E
SCHEMBL519468 0.75 ALDH1A1 (0.52) MAPTKMT2AALDH1A1ALOX12KDM4E
SCHEMBL520582 0.74 MTNR1A (0.41) MAPTKMT2AALDH1A1ALOX12KDM4E
SCHEMBL18689666 0.74 ALDH1A1 (0.48) MAPTKMT2AALDH1A1ALOX12KDM4E
SCHEMBL522109 0.74 KMT2A (0.48) MAPTKMT2AALDH1A1ALOX12KDM4E
SCHEMBL17611061 0.74 ALDH1A1 (0.46) MAPTKMT2AALDH1A1ALOX12KDM4E
SCHEMBL8551062 0.71 MCL1 (0.57) KMT2AALDH1A1KDM4EHPGDMEN1
SCHEMBL28665442 0.70 MTNR1A (0.47) MAPTKMT2AALDH1A1KDM4EHPGD

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 MAPT 3109/4885KMT2A 114/4885ALDH1A1 779/4885

“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.