SCHEMBL24067435

SCHEMBL24067435

COc1cc(OC)c2ncnc(C(C)(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.41
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.36
▸ LCK P06239 3/20 0.36
▸ EGFR P00533 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ PDGFRB P09619 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ NQO2 P16083 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL25670574 0.85 ACHE (0.38) PDE5AKDM4EEGFRMEN1KMT2A
SCHEMBL26237946 0.81 PDE5A (0.32) PDE5ALCKEGFRMEN1KMT2A
SCHEMBL12775449 0.80 PDE5A (0.62) PDE5A
SCHEMBL20813807 0.79 PDE5A (0.42) PDE5ACYP1A1CYP1B1KDM4ELCK
SCHEMBL14671423 0.77 POLB (0.50) PDE5ACYP1A1CYP1B1KDM4ELCK
SCHEMBL20813448 0.77 PDE5A (0.41) PDE5ACYP1A1CYP1B1KDM4ELCK
SCHEMBL25670576 0.76 HTR1A (0.46) PDE5AEGFRMEN1KMT2ANQO2
SCHEMBL26238161 0.76 FGFR2 (0.40) PDE5AEGFRALDH1A1HTTPDGFRA
SCHEMBL24392237 0.75 PDE10A (0.41) PDE5ACYP1A1CYP1B1KDM4ELCK
SCHEMBL24392339 0.75 ALDH1A1 (0.51) PDE5AKDM4ELCKEGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 — — US disclosed
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 — — US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 — — US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 — — US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 — — US disclosed
US-20210369747-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2021-12-02 — — 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 (5 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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885CYP1A1 4014/4885CYP1B1 4202/4885
US-20210369747-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885CYP1A1 4014/4885CYP1B1 4202/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 PDE5A 150/4885CYP1A1 4232/4885CYP1B1 4234/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885CYP1A1 4014/4885CYP1B1 4202/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 PDE5A 494/4885CYP1A1 4014/4885CYP1B1 4202/4885

“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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