SCHEMBL14842829

SCHEMBL14842829

Cc1nc(Cl)c2c(F)cccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
TNNI3 P19429 1/20 0.38
CYP2C19 P33261 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
RUNX1 Q01196 1/20 0.38
KMT2A Q03164 1/20 0.38
CBFB Q13951 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 2/20 0.37
ACHE P22303 2/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL7417855 0.81 PARP1 (0.50) PARP1TDP1ELANEKDM4EMEN1
SCHEMBL9268529 0.81 TDP1 (0.48) PARP1TDP1ELANEKDM4EMEN1
SCHEMBL12501306 0.81 PARP1 (0.50) PARP1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1995692 0.81 PARP1 (0.42) PARP1TDP1ELANECYP1A2CYP2C19
SCHEMBL29909242 0.81 PARP1 (0.42) PARP1TDP1ELANECYP1A2CYP2C19
SCHEMBL26697710 0.78 PARP1 (0.40) PARP1TDP1ELANEALDH1A1CYP1A2
SCHEMBL2126781 0.76 PARP1 (0.46) PARP1TDP1ELANEPDE10AACHE
SCHEMBL21348048 0.75 PARP1 (0.45) PARP1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL3107616 0.75 KMT2A (0.39) PARP1TDP1ELANEMEN1KMT2A
SCHEMBL12169929 0.75 KCNH2 (0.51) TDP1ELANEKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026752-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2025-01-23 US disclosed
WO-2023064588-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 WO disclosed
WO-2013050527-A1 QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2013-04-11 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-20250026752-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM5, CHRM2 PARP1 4026/4885TDP1 1026/4885ELANE 4807/4885

“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.