SCHEMBL758310

SCHEMBL758310

Cc1n[nH]c(N)c1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
AKT2 P31751 2/20 0.43
CHEK1 O14757 1/20 0.43
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
IDO1 P14902 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
IKBKB O14920 2/20 0.39
AXL P30530 1/20 0.39
KEAP1 Q14145 1/20 0.39
MAP3K14 Q99558 1/20 0.39
CHUK O15111 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL842957 0.85 SMN1; SMN2 (0.47) AKT2CHEK1KMT2AMEN1NPC1
SCHEMBL13310491 0.81 IKBKB (0.59) AKT2CHEK1KMT2AMEN1RAB9A
SCHEMBL1248139 0.81 IKBKB (0.59) AKT2CHEK1KMT2AMEN1MAPT
SCHEMBL1057636 0.81 AKT2 (0.66) AKT2CHEK1KMT2AMEN1RAB9A
SCHEMBL10275234 0.81 KIF11 (0.44) AKT2CHEK1KMT2AMEN1RAB9A
SCHEMBL23149673 0.80 ILK (0.41) MAPK14AKT2CHEK1IDO1
SCHEMBL30786544 0.80 ILK (0.41) MAPK14AKT2CHEK1IDO1
SCHEMBL27926884 0.79 AKT2 (0.46) AKT2CHEK1KMT2AIKBKBMAP3K14
SCHEMBL13516427 0.79 MAPT (0.50) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL17355075 0.77 KDM4E (0.46) MAPK14KMT2AMEN1RAB9AMAPT

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-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
WO-2012149157-A2 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
EP-0190457-A1 Derivatives of 3-methyl-imidazo [4,5-c]pyrazole having therapeutic activity and a process for the preparation theref CAMILLO CORVI S.p.A. (IT) 1986-08-13 EP 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 MAPK14 1754/4885AKT2 861/4885CHEK1 1404/4885
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MAPK14 434/4885AKT2 405/4885CHEK1 294/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 MAPK14 434/4885AKT2 405/4885CHEK1 294/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 MAPK14 1754/4885AKT2 861/4885CHEK1 1404/4885

“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.