SCHEMBL519964

SCHEMBL519964

CCOC(=O)c1cccn1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.50
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 1/20 0.50
KCNH2 Q12809 1/20 0.50
ALOX12 P18054 5/20 0.48
LMNA P02545 5/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 8/20 0.46
GAA P10253 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CCR6 P51684 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
SCHEMBL29943759 0.94 SMN1; SMN2 (0.45) SMN1; SMN2MAPTMEN1KMT2APKM
SCHEMBL519468 0.88 ALDH1A1 (0.52) SMN1; SMN2MAPTMEN1KMT2AALOX12
SCHEMBL13088685 0.82 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2AALOX12ALDH1A1
SCHEMBL29943719 0.82 EPHX1 (0.50) SMN1; SMN2MEN1KMT2AALOX12ALDH1A1
SCHEMBL25327014 0.81 SMN1; SMN2 (0.48) SMN1; SMN2MAPTMEN1KMT2APKM
SCHEMBL15971741 0.81 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2APKM
SCHEMBL2060081 0.80 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2AALOX12ALDH1A1
SCHEMBL19888167 0.79 ALDH1A1 (0.51) SMN1; SMN2MAPTMEN1KMT2AALOX12
SCHEMBL15908738 0.73 TSHR (0.46) SMN1; SMN2MAPTLMNAALDH1A1GAA
SCHEMBL19222024 0.73 ALDH1A1 (0.50) SMN1; SMN2MAPTMEN1KMT2AALOX12

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490498-A Pyrimido cyclic compounds and application thereof in preparation of medicines for treating pains and spinal cord injuries 南京药石科技股份有限公司 2023-07-25 CN disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
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-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
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
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 SMN1; SMN2 4722/4885MAPT 3109/4885MEN1 3470/4885

“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.