SCHEMBL145462

SCHEMBL145462

CC1(C)OB(c2ccc3c(cnn3CCN3CCOCC3)c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC1 Q13547 2/20 0.44
MCHR1 Q99705 9/20 0.43
EGFR P00533 3/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MLLT1 Q03111 1/20 0.39
MET P08581 1/20 0.38
MCHR2 Q969V1 1/20 0.36

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
SCHEMBL17678319 0.95 EGFR (0.41) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL17674027 0.91 IRAK4 (0.48) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL17678118 0.86 IRAK4 (0.46) HDAC3HDAC2HDAC1MCHR1EGFR
SCHEMBL17678307 0.85 IRAK4 (0.40) MCHR1IRAK4MCHR2
SCHEMBL25295958 0.84 IRAK4 (0.38) HDAC3HDAC2HDAC1MCHR1IRAK4
SCHEMBL30004316 0.84 IRAK4 (0.38) HDAC3HDAC2HDAC1MCHR1IRAK4
SCHEMBL25295957 0.84 IRAK4 (0.38) HDAC3HDAC2HDAC1MCHR1IRAK4
SCHEMBL17678143 0.83 IRAK4 (0.49) MCHR1IRAK4MCHR2
SCHEMBL3515019 0.83 IRAK4 (0.39) HDAC3HDAC2HDAC1MCHR1IRAK4
SCHEMBL15328953 0.82 IRAK4 (0.45) IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4344702-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2026-01-28 EP disclosed
EP-4344702-A2 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Novartis AG (CH) 2024-04-03 EP disclosed
EP-4076662-B1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-01-31 EP disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 US disclosed
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2022-11-17 US disclosed
WO-2021120890-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 WO disclosed
WO-2021124222-A1 PYRAZOLYL DERIVATIVES USEFUL AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-06-24 WO disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 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 (5 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 HDAC3 632/4885HDAC2 784/4885HDAC1 581/4885
US-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 HDAC3 25/4885HDAC2 46/4885HDAC1 30/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 HDAC3 569/4885HDAC2 647/4885HDAC1 217/4885
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A HDAC3 2219/4885HDAC2 1322/4885HDAC1 753/4885
US-20220363670-A1 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 HDAC3 25/4885HDAC2 46/4885HDAC1 30/4885

“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.