SCHEMBL21886955

SCHEMBL21886955

CC1(C)OB(c2ccc(NC(=O)Nc3ccc(COCCN4CCOCC4)cc3)cc2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 14/20 0.48
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ CNR1 P21554 1/20 0.42

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
SCHEMBL23287623 0.85 ALDH1A1 (0.44) EPHX2
SCHEMBL23287628 0.80 MAPT (0.52) EPHX2MAPTSMN1; SMN2LMNA
SCHEMBL16015039 0.77 ATM (0.61) SMN1; SMN2LMNA
SCHEMBL5199840 0.75 SMN1; SMN2 (0.60) EPHX2MAPTSMN1; SMN2
SCHEMBL426570 0.74 LPL (0.57) —
SCHEMBL442711 0.73 CA1 (0.50) —
SCHEMBL586178 0.73 LPL (0.56) —
SCHEMBL2822368 0.73 POLB (0.67) SMN1; SMN2LMNA
SCHEMBL171459 0.73 GAA (0.44) MAPTLMNA
SCHEMBL5222207 0.73 GAA (0.59) MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707907-B Purine derivative and intermediate thereof, and application of purine derivative and intermediate thereof in preparation of anti-cancer drugs 张飞 2023-05-23 — — CN disclosed
US-20220389017-A1 NOVEL PURINE DERIVATIVE, INTERMEDIATE AND APPLICATION THEREOF IN PREPARING ANTICANCER MEDICINE SUZHOU RAYMON PHARMACEUTICALS COMPANY, LTD. (CN) 2022-12-08 — — US disclosed
US-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG SUZHOU RAYMON PHARMACEUTICALS COMPANY LTD (CN) 2021-11-04 — — US disclosed
WO-2021078141-A1 NOVEL PURINE DERIVATIVE, INTERMEDIATE AND APPLICATION THEREOF IN PREPARING ANTICANCER MEDICINE 苏州锐明新药研发有限公司 2021-04-29 — — WO disclosed
WO-2020063636-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG 苏州锐明新药研发有限公司 2020-04-02 — — 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 (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-20220389017-A1 NOVEL PURINE DERIVATIVE, INTERMEDIATE AND APPLICATION THEREOF IN PREPARING ANTICANCER MEDICINE PNP, ENTPD5, NTPCR EPHX2 2704/4885MAPT 4875/4885SMN1; SMN2 3525/4885
US-20210340146-A1 PYRAZOLOPYRIMIDINE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF ANTI-CANCER DRUG PIK3CA, PIK3CD, PIK3R5 EPHX2 3470/4885MAPT 4752/4885SMN1; SMN2 4491/4885

“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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