SCHEMBL24704123

SCHEMBL24704123

Cc1nc2ncc(Cn3cnc(-c4cc(F)ccc4F)c3C3CC3)cc2n1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP11B2 P19099 10/20 0.33
▸ CYP11B1 P15538 9/20 0.33
▸ USP2 O75604 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KCNH2 Q12809 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CDK4 P11802 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CDK6 Q00534 2/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL24704591 0.84 MAPK14 (0.32) KDM4EALDH1A1USP2MAPK14PKM
SCHEMBL22862443 0.83 AKT1 (0.33) HTTCYP11B2MCHR1CDK9
SCHEMBL24704416 0.82 SMN1; SMN2 (0.39) HTTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL24704121 0.78 CDK9 (0.41) HTTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL22862777 0.75 KDM4E (0.37) HTTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL22862438 0.75 ALDH1A1 (0.40) HTTSMN1; SMN2MAPK1KDM4EALDH1A1
SCHEMBL22862877 0.74 SIGMAR1 (0.39) CDK9
SCHEMBL22862452 0.71 — —
SCHEMBL24704592 0.70 TNIK (0.35) MAPK14
SCHEMBL22862450 0.70 PDE2A (0.40) CYP11B2CYP11B1CDK9

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 HTT 3627/4885SMN1; SMN2 2633/4885MAPK1 1303/4885

“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.

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