SCHEMBL4070775

SCHEMBL4070775

Nc1n[nH]c(N)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.43
CDK2 P24941 2/20 0.43
GAA P10253 2/20 0.43
CCNT1 O60563 1/20 0.43
CCNE2 O96020 1/20 0.43
MAPT P10636 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK9 P50750 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PNP P00491 2/20 0.42
CALM1 P0DP23 1/20 0.41
LTB4R Q15722 1/20 0.41
AOC3 Q16853 1/20 0.41
CDC7 O00311 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
PIM1 P11309 1/20 0.40
PRKACA P17612 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
SCHEMBL3706897 0.81 MAPT (0.46) GFERGAAMAPTMAP4K4PAK4
SCHEMBL155106 0.81 ALDH1A1 (0.41) GAATDP1HPGDAR
SCHEMBL9353066 0.81 MEN1 (0.46) GFERPNPDAONR1H2NR1H3
SCHEMBL13515979 0.81 HCAR2 (0.42) GFERPNPCALM1LTB4RAOC3
SCHEMBL9787463 0.73 LTB4R (0.49) GFERCDK2GAACALM1LTB4R
SCHEMBL6240087 0.73 PARP1 (0.50) GFERCALM1LTB4RAOC3DAO
SCHEMBL14720224 0.73 ALDH1A1 (0.49) GFERCDK2GAACCNE2MAPT
SCHEMBL8492636 0.71 MAPK1 (0.42) CDK2GAAMAPTCDC7JAK2
SCHEMBL5417372 0.71 KDM4E (0.53) GAAMAPTKDM4ECYP3A4MAPK1
SCHEMBL25349481 0.70 LTB4R (0.46) GFERCDK2GAACALM1LTB4R

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 8 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
WO-2009039323-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 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 (2 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 GFER 4470/4885CDK2 234/4885GAA 306/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 GFER 4470/4885CDK2 234/4885GAA 306/4885

“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.