SCHEMBL29655243

SCHEMBL29655243

O=c1[nH]nc(Cc2ccc(F)c(Br)c2)c2cc(OC(F)(F)F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 14/20 0.56
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
ENPP1 P22413 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL19748759 1.00 PARP1 (0.56) PARP1PRMT5WDR77HTTSMN1; SMN2
SCHEMBL29655202 0.87 PARP1 (0.58) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19748080 0.87 PARP1 (0.58) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655149 0.83 PARP1 (0.59) PARP1PRMT5WDR77ENPP1LMNA
SCHEMBL19748946 0.83 PARP1 (0.59) PARP1PRMT5WDR77ENPP1LMNA
SCHEMBL19748474 0.83 PARP1 (0.64) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29655259 0.83 PARP1 (0.64) PARP1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19747669 0.82 PARP1 (0.63) PARP1HTTCYP3A4CYP2C9TSHR
SCHEMBL29655088 0.82 PARP1 (0.63) PARP1HTTCYP3A4CYP2C9TSHR
SCHEMBL4572876 0.81 PARP1 (0.72) PARP1CYP3A4CYP2C9TSHRCYP2C19

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-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 (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-20220402894-A1 Phthalazine Derivatives as Inhibitors of PARP1, PARP2, and/or Tubulin Useful for the Treatment of Cancer PARP2, PARP12, PARP1 PARP1 3/4885PRMT5 1284/4885WDR77 949/4885

“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.