SCHEMBL31718111

SCHEMBL31718111

O=c1[nH]c(F)cc2cc(-c3ncc(C(F)(F)F)cn3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JUN P05412 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TNKS O95271 7/20 0.39
▸ TNKS2 Q9H2K2 6/20 0.39
▸ WNT3A P56704 2/20 0.39
▸ COMT P21964 1/20 0.37
▸ PARP1 P09874 5/20 0.36
▸ PARP2 Q9UGN5 2/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL30637813 0.80 PARP1 (0.43) JUNNFKB1NFKB2RELACOMT
SCHEMBL31718110 0.79 JUN (0.40) JUNNFKB1NFKB2RELATNKS
SCHEMBL31058401 0.77 JUN (0.43) JUNNFKB1NFKB2RELATNKS
SCHEMBL31058347 0.72 PARP1 (0.68) TNKS2PARP1
SCHEMBL31718075 0.70 KDM4E (0.51) JUNNFKB1NFKB2RELATNKS
SCHEMBL25898637 0.68 KDM4E (0.41) P2RY14KDM4E
SCHEMBL3476605 0.67 HDAC6 (0.49) PARP1HDAC4HDAC6
SCHEMBL31532261 0.66 AKT1 (0.47) ROCK2
SCHEMBL31058281 0.66 PARP1 (0.45) JUNNFKB1NFKB2RELAPARP1
SCHEMBL31362964 0.65 ADORA2A (0.43) TNKSTNKS2PARP1PARP2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459922-B2 PARP7 inhibitors GILEAD SCIENCES, INC. (US) 2025-11-04 — — 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 (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-12459922-B2 PARP7 inhibitors PARP1, PARP11, PARP2 JUN 2632/4885NFKB1 1970/4885NFKB2 2372/4885

“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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