SCHEMBL29496129

SCHEMBL29496129

CN1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 1.00
CSNK1D P48730 1/20 1.00
PARP1 P09874 18/20 0.82
ROCK1 Q13464 1/20 0.48

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
SCHEMBL51064 1.00 PIM1 (1.00) PIM1CSNK1DPARP1ROCK1
SCHEMBL61589 0.92 PIM1 (0.85) PIM1CSNK1DPARP1
SCHEMBL51663 0.92 PIM1 (0.85) PIM1CSNK1DPARP1
SCHEMBL1319786 0.91 PIM1 (0.84) PIM1CSNK1DPARP1
SCHEMBL14336521 0.91 PARP1 (0.83) PIM1CSNK1DPARP1ROCK1
SCHEMBL61587 0.91 PARP1 (0.83) PIM1CSNK1DPARP1
SCHEMBL10035767 0.91 PIM1 (0.82) PIM1CSNK1DPARP1
SCHEMBL51776 0.90 PIM1 (0.82) PIM1CSNK1DPARP1
SCHEMBL61766 0.90 PARP1 (0.82) PIM1CSNK1DPARP1
SCHEMBL22674578 0.90 PARP1 (0.82) PIM1CSNK1DPARP1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098196-A1 TRAPPING-FREE PARP INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-03-31 US claimed
CN-118973617-A Conjugates, compositions, and methods of use 维尔托索宾科公司 2024-11-15 CN disclosed
EP-4460330-A1 CONJUGATES, COMPOSITIONS AND METHODS OF USE Virtuoso Binco, Inc. (US) 2024-11-13 EP disclosed
WO-2023131219-A1 CONJUGATES, COMPOSITIONS AND METHODS OF USE VIRTUOSO BINCO, INC. (US) 2023-07-13 WO disclosed
US-20230065522-A1 METHODS OF CANCER DETECTION USING PARPI-FL MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-03-02 US disclosed
US-20220098196-A1 TRAPPING-FREE PARP INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-03-31 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 (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-20230065522-A1 METHODS OF CANCER DETECTION USING PARPI-FL PARP2, PARP1, PARP3 PIM1 1871/4885CSNK1D 2049/4885PARP1 2/4885
US-20220098196-A1 TRAPPING-FREE PARP INHIBITORS PARP1, PARP3, PARP11 PIM1 447/4885CSNK1D 2610/4885PARP1 1/4885

“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.