SCHEMBL26005608

SCHEMBL26005608

CCc1cc(=O)n2nc(Cl)c(C)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 8/20 0.38
KDM5B Q9UGL1 1/20 0.37
KDM4E B2RXH2 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 2/20 0.35
GRIA2 P42262 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
RORC P51449 1/20 0.33
DHODH Q02127 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL25311269 0.84 KDM4E (0.50) KDM4ETDP1HSD17B10NPC1RAB9A
SCHEMBL25311211 0.81 NPC1 (0.43) KDM4EHSD17B10NPC1RAB9AALDH1A1
SCHEMBL18337787 0.77 PRMT5 (0.39) ACKR3KDM5BKDM4ETDP1GRIN1
SCHEMBL25313165 0.76 ACKR3 (0.38) ACKR3KDM5BKDM4EHSD17B10DHODH
SCHEMBL25312250 0.75 KDM4E (0.46) KDM4EHSD17B10NPC1RAB9AALDH1A1
SCHEMBL25310584 0.75 RAD51 (0.40) KDM4EHSD17B10RORCNPC1RAB9A
SCHEMBL31143540 0.75 ALDH1A1 (0.38) KDM4EHSD17B10GRIA2GRIN1GRIN2A
SCHEMBL25310622 0.75 ALPI (0.44) KDM4EALDH1A1
SCHEMBL25312012 0.75 HPGD (0.37) KDM5BKDM4EHSD17B10GRIA2GRIN1
SCHEMBL26005611 0.75 NPC1 (0.35) KDM4EHSD17B10GRIN1GRIN2ARORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286991-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-09-14 US disclosed
US-20230257381-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-08-17 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-20230286991-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM5 ACKR3 1446/4885KDM5B 471/4885KDM4E 610/4885
US-20230257381-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM1, CHRM5 ACKR3 1470/4885KDM5B 418/4885KDM4E 647/4885

“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.