SCHEMBL3472474

SCHEMBL3472474

Nc1[nH]ncc1-c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
MAPT P10636 3/20 0.61
TDP1 Q9NUW8 1/20 0.56
MAPK14 Q16539 3/20 0.54
MAPK13 O15264 1/20 0.54
MAPK12 P53778 1/20 0.54
MAPK11 Q15759 1/20 0.54
KDM4E B2RXH2 1/20 0.51
ILK Q13418 1/20 0.49
TGFBR1 P36897 2/20 0.49
PIK3CA P42336 1/20 0.49
GAA P10253 2/20 0.47
TDO2 P48775 1/20 0.47
RET P07949 2/20 0.44
MAP2K1 Q02750 2/20 0.44
MAP4K2 Q12851 2/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44

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
SCHEMBL15020489 0.80 MAPT (0.66) LMNAMAPTTDP1KDM4EGAA
SCHEMBL1248084 0.80 LMNA (0.66) LMNAMAPTTDP1MAPK14KDM4E
SCHEMBL1245491 0.80 LMNA (0.66) LMNAMAPTTDP1KDM4EGAA
SCHEMBL13516147 0.79 LMNA (0.55) LMNAMAPTTDP1KDM4EILK
SCHEMBL1246534 0.79 LMNA (0.59) LMNAMAPTTDP1KDM4EILK
SCHEMBL461478 0.79 LMNA (1.00) LMNAMAPTTDP1KDM4EILK
SCHEMBL13516120 0.78 LMNA (0.62) LMNAMAPTTDP1KDM4EILK
SCHEMBL17730627 0.78 LMNA (0.58) LMNAMAPTTDP1KDM4EILK
SCHEMBL16534777 0.78 LMNA (0.68) LMNAMAPTTDP1MAPK14MAPK13
SCHEMBL12651076 0.76 AKT2 (0.66) MAPK14MAPK13MAPK12MAPK11TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-9969741-B2 Pyrazolotriazines as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2018-05-15 US disclosed
US-9969741-B2 Pyrazolotriazines as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2018-05-15 US disclosed
EP-2957562-B1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2017-12-20 EP disclosed
US-20170197966-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2017-07-13 US disclosed
US-20170197966-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2017-07-13 US disclosed
EP-2957562-A1 Pyrazolotriazines as inhibitors of nucleases Masarykova univerzita (CZ) 2015-12-23 EP disclosed
WO-2015192817-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2015-12-23 WO disclosed
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 WO disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-20120165335-A1 CDK INHIBITORS CURIS, INC. 2012-06-28 US disclosed
WO-2010075542-A1 CDK INHIBITORS CURIS, INC. (US) 2010-07-01 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 (4 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 LMNA 1114/4885MAPT 3629/4885TDP1 2483/4885
US-20120165335-A1 CDK INHIBITORS CDK3, CDK6, CDKL1 LMNA 2371/4885MAPT 2025/4885TDP1 490/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 LMNA 1114/4885MAPT 3629/4885TDP1 2483/4885
US-20170197966-A1 PYRAZOLOTRIAZINES AS INHIBITORS OF NUCLEASES DNASE1, TDP1, RNASEH1 LMNA 286/4885MAPT 732/4885TDP1 2/4885

“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.