SCHEMBL23995391

SCHEMBL23995391

O=c1[nH]cc(-c2cc(NCCc3ccc(F)cc3)c3nccn3n2)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.38
▸ NT5E P21589 3/20 0.34
▸ SYK P43405 4/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ACP1 P24666 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL23994321 0.92 MEN1 (0.54) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL23995372 0.91 MEN1 (0.43) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL23995088 0.90 MAPT (0.46) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL23995083 0.86 KDM4E (0.47) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL30224157 0.85 GPR84 (0.40) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL23995212 0.85 GPR84 (0.40) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL23995086 0.85 KDM4E (0.46) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL23995084 0.84 MEN1 (0.44) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL30224471 0.84 MEN1 (0.44) MAPTMEN1KMT2AKDM4ETAAR1
SCHEMBL23993490 0.82 KDM4E (0.40) MAPTMEN1KMT2AKDM4ETAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12110294-B2 CD73 compounds GILEAD SCIENCES, INC. (US) 2024-10-08 — — US disclosed
EP-4143194-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-03-08 — — EP disclosed
US-20230039553-A1 CD73 COMPOUNDS GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
WO-2021222522-A1 CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-11-04 — — 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-20230039553-A1 CD73 COMPOUNDS ENTPD5, ENTPD1, NT5E MAPT 4826/4885MEN1 3132/4885KMT2A 2253/4885
US-12110294-B2 CD73 compounds ENTPD5, ENTPD1, NT5E MAPT 4849/4885MEN1 3362/4885KMT2A 2581/4885

“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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