SCHEMBL13516703

SCHEMBL13516703

Cc1n[nH]c(N)c1Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.50
P2RX7 Q99572 1/20 0.49
MPO P05164 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ADCY10 Q96PN6 1/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
YTHDF3 Q7Z739 2/20 0.42
YTHDC1 Q96MU7 2/20 0.42
YTHDF1 Q9BYJ9 2/20 0.42
YTHDF2 Q9Y5A9 2/20 0.42
PNMT P11086 2/20 0.42
CCR5 P51681 1/20 0.42
ENPP1 P22413 1/20 0.42
PDE5A O76074 1/20 0.42
PDE9A O76083 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42

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
SCHEMBL13516409 0.81 P2RX7 (0.45) P2RX7MPOPOLBMAPTSMN1; SMN2
SCHEMBL9353066 0.81 MEN1 (0.46) POLB
SCHEMBL16992848 0.74 ALDH1A1 (0.47) P2RX7MPOPOLBSMN1; SMN2
SCHEMBL14720127 0.73 PNMT (0.43) CCR2P2RX7SMN1; SMN2PNMTCCR5
SCHEMBL7397450 0.73 MPO (0.49) CCR2MPOHCAR2ADCY10YTHDF3
SCHEMBL13516129 0.73 SMN1; SMN2 (0.50) P2RX7MPOSMN1; SMN2PNMTENPP1
SCHEMBL5753192 0.71 PDE5A (0.51) CCR2P2RX7HCAR2SMN1; SMN2YTHDF3
SCHEMBL18148766 0.71 MPO (0.47) MPOHCAR2YTHDF3YTHDC1YTHDF1
SCHEMBL20744794 0.70 ADORA2A (0.42) MPOHCAR2POLBYTHDF3YTHDC1
SCHEMBL857948 0.70 ENPP1 (0.49) CCR2ADCY10MAPTSMN1; SMN2PNMT

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 3 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
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

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 CCR2 4033/4885P2RX7 3547/4885MPO 1428/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 CCR2 4033/4885P2RX7 3547/4885MPO 1428/4885

“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.