SCHEMBL25898407

SCHEMBL25898407

CCCCCn1ccc2cc(-c3ccc(C(F)F)cn3)c(F)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 6/20 0.48
▸ TNF P01375 6/20 0.38
▸ GRM2 Q14416 6/20 0.36
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL25898373 0.88 NPC1 (0.40) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25898617 0.88 TIPARP (0.41) TIPARPTNFGRM2
SCHEMBL26786720 0.86 TIPARP (0.44) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25898769 0.84 GRM2 (0.40) TIPARPGRM2
SCHEMBL25897799 0.84 TIPARP (0.41) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25899760 0.82 TIPARP (0.41) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25898347 0.82 BRD4 (0.40) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25898605 0.80 TIPARP (0.49) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25898123 0.80 GRM2 (0.43) TIPARPTNFGRM2HDAC3HDAC1
SCHEMBL25898391 0.79 TIPARP (0.46) TIPARPTNFGRM2HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 TIPARP 491/4885TNF 4831/4885GRM2 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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