SCHEMBL29655251

SCHEMBL29655251

O=c1[nH]nc(Cc2ccc(F)c(Br)c2)c2ccc(F)cc12

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.63
LMNA P02545 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ENPP1 P22413 1/20 0.47
AR P10275 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL14234308 1.00 PARP1 (0.63) PARP1LMNAHDAC6ENPP1AR
SCHEMBL19748474 0.96 PARP1 (0.64) PARP1LMNAENPP1ARCYP3A4
SCHEMBL29655259 0.96 PARP1 (0.64) PARP1LMNAENPP1ARCYP3A4
SCHEMBL19748607 0.90 PARP1 (0.68) PARP1LMNAENPP1ARCYP3A4
SCHEMBL29655224 0.90 PARP1 (0.68) PARP1LMNAENPP1ARCYP3A4
SCHEMBL19748359 0.88 PARP1 (0.60) PARP1LMNAENPP1CYP3A4CYP2C9
SCHEMBL29655038 0.88 PARP1 (0.60) PARP1LMNAENPP1CYP3A4CYP2C9
SCHEMBL29483966 0.87 PARP1 (0.72) PARP1LMNAENPP1ARCYP3A4
SCHEMBL4572876 0.87 PARP1 (0.72) PARP1LMNAENPP1ARCYP3A4
SCHEMBL19747669 0.85 PARP1 (0.63) PARP1LMNAENPP1ARCYP3A4

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-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer ATLASMEDX, INC. (US) 2024-11-19 US disclosed
US-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer ATLASMEDX, INC. 2022-12-22 US disclosed
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN 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-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 PARP1 3/4885LMNA 1010/4885HDAC6 18/4885
US-12145925-B2 Phthalazine derivatives as inhibitors of PARP1, PARP2, and/or tubulin useful for the treatment of cancer PARP2, PARP12, PARP1 PARP1 3/4885LMNA 1010/4885HDAC6 18/4885

“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.