SCHEMBL2060019

SCHEMBL2060019

NC(=O)c1cccn1NC(N)=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAP3K14 Q99558 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TP53 P04637 1/20 0.31
TYR P14679 1/20 0.31
TAS2R38 P59533 1/20 0.31
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
PARP1 P09874 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL1298778 0.81 LMNA (0.38) LMNAMAP3K14KDM4EALDH1A1HSD17B10
SCHEMBL15956594 0.77 LMNA (0.42) LMNAMAP3K14KDM4EALDH1A1HTT
SCHEMBL2060081 0.77 ALDH1A1 (0.51) KDM4EALDH1A1CA1CA9HTT
SCHEMBL13088423 0.77 LMNA (0.40) LMNAMAP3K14KDM4EALDH1A1TSHR
SCHEMBL25262175 0.76 LMNA (0.37) LMNAMAP3K14KDM4ETSHRCYP3A4
SCHEMBL1396053 0.74 LMNA (0.38) LMNAMAP3K14KDM4ETSHRHSD17B10
SCHEMBL14104429 0.74 CYP2D6 (0.43) TSHRHSD17B10TP53MAPTCYP2C19
SCHEMBL1854385 0.74 KDM4E (0.37) LMNAMAP3K14KDM4EALDH1A1CA1
SCHEMBL15527837 0.74 GAA (0.44) LMNAKDM4EALDH1A1HTTTP53
SCHEMBL3311103 0.74 LMNA (0.36) LMNAMAP3K14KDM4ETSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-8148523-B2 Intermediates useful in preparing certain pyrrolotriazine compounds and a process for making the intermediates BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8148523-B2 Intermediates useful in preparing certain pyrrolotriazine compounds and a process for making the intermediates BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-8148523-B2 Intermediates useful in preparing certain pyrrolotriazine compounds and a process for making the intermediates BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
EP-2111405-B1 INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND A PROCESS FOR MAKING THE INTERMEDIATES BRISTOL MYERS SQUIBB CO (US) 2010-10-27 EP disclosed
EP-2111405-B1 INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND A PROCESS FOR MAKING THE INTERMEDIATES BRISTOL MYERS SQUIBB CO (US) 2010-10-27 EP disclosed
EP-2111405-A1 INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND A PROCESS FOR MAKING THE INTERMEDIATES Brystol-Myers Squibb Company (US) 2009-10-28 EP disclosed
WO-2008086264-A1 INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND A PROCESS FOR MAKING THE INTERMEDIATES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-17 WO disclosed
WO-2008086264-A1 INTERMEDIATES USEFUL IN PREPARING CERTAIN PYRROLOTRIAZINE COMPOUNDS AND A PROCESS FOR MAKING THE INTERMEDIATES BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-17 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 LMNA 4684/4885MAP3K14 21/4885KDM4E 396/4885

“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.