SCHEMBL26009573

SCHEMBL26009573

COc1ncc(SC)cc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
POLB P06746 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL19126269 0.82 MAPT (0.35) RECQLHTTMAPTCASP1AURKA
SCHEMBL24139615 0.78 MAPT (0.50) MAPTCASP1AURKATTKAURKB
SCHEMBL19706705 0.74 AURKA (0.40) AURKAAURKBCYP1A2
SCHEMBL24609346 0.74 MAP2K1 (0.40) RECQLALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL12093552 0.74 NOS3 (0.48) RECQLHTTMAPTCASP1AURKA
SCHEMBL29823245 0.74 NOS3 (0.48) RECQLHTTMAPTCASP1AURKA
SCHEMBL7321441 0.72 MAPT (0.39) RECQLHTTALDH1A1MAPTCASP1
SCHEMBL2176589 0.72 MEN1 (0.33) RAB9A
SCHEMBL1020594 0.71 RECQL (0.35) RECQLHTTMAPTCASP1AURKA
SCHEMBL6954046 0.71 SMN1; SMN2 (0.47) RECQLHTTALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 RECQL 789/4885HTT 1734/4885NPC1 3952/4885

“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.