SCHEMBL29708646

SCHEMBL29708646

COC(=O)c1cccc(Nc2ccc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nn2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
SYK P43405 1/20 0.35
MAPT P10636 4/20 0.34
CYP1A2 P05177 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
RECQL P46063 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDH1 O75874 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29235433 0.82 MAPT (0.36) GRM5SYKMAPTCYP1A2SMN1; SMN2
SCHEMBL15968613 0.81 MAPT (0.42) GRM5SYKMAPTCYP1A2SMN1; SMN2
SCHEMBL29988409 0.81 MAPT (0.42) GRM5SYKMAPTCYP1A2SMN1; SMN2
SCHEMBL26662901 0.79 MAPK1 (0.41) SYKRECQLALDH1A1KDM4ELMNA
SCHEMBL1857045 0.72 ALDH1A1 (0.48) GRM5MAPTCYP1A2SMN1; SMN2NPC1
SCHEMBL19583660 0.71 MAPT (0.40) GRM5MAPTCYP1A2SMN1; SMN2NPC1
SCHEMBL12759220 0.68 SYK (0.36) SYKLMNA
SCHEMBL465913 0.68 CYP1A2 (0.59) SYKMAPTCYP1A2SMN1; SMN2NPC1
SCHEMBL25314004 0.68 GRM5 (0.61) GRM5MAPTCYP1A2SMN1; SMN2NPC1
SCHEMBL13447982 0.68 KDM4E (0.47) SYKNPC1RAB9AGAAKDM4E

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-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS LES LABORATOIRES SERVIER (FR) 2022-09-15 US disclosed
EP-4003988-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS Les Laboratoires Servier (FR) 2022-06-01 EP 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-20220289734-A1 3,6-DIAMINO-PYRIDAZIN-3-YL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS PRO-APOPTOTIC AGENTS CASP3, BAX, CASP2 GRM5 2759/4885SYK 4762/4885MAPT 4192/4885

“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.