SCHEMBL25322487

SCHEMBL25322487

[2H]C(C)(N)CCCn1ccc2cc(Br)c(F)c(F)c2c1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 9/20 0.32
▸ HTR2A P28223 8/20 0.32
▸ GRM2 Q14416 4/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL30550680 1.00 HTR2C (0.32) HTR2CHTR2AGRM2HDAC3HDAC1
SCHEMBL26782296 0.91 HTR2C (0.36) HTR2CHTR2AGRM2HDAC3HDAC1
SCHEMBL25321710 0.78 TNF (0.39) GRM2HDAC3HDAC1HDAC6
SCHEMBL25898525 0.74 HTR2C (0.40) HTR2CHTR2AGRM2HDAC3HDAC1
SCHEMBL25323865 0.73 GRM2 (0.34) GRM2
SCHEMBL25899446 0.72 BRD4 (0.38) —
SCHEMBL25322354 0.70 TNF (0.32) —
SCHEMBL30550743 0.70 TNF (0.32) —
SCHEMBL26782295 0.70 TNF (0.32) —
SCHEMBL25324896 0.68 PSMB1 (0.41) HDAC3HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 — — US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — 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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 HTR2C 1861/4885HTR2A 2837/4885GRM2 4803/4885
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 HTR2C 1861/4885HTR2A 2837/4885GRM2 4803/4885

“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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