SCHEMBL1713613

SCHEMBL1713613

O=C1CCn2c(nc3ccccc32)N1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.44
DDB1 Q16531 10/20 0.44
TSHR P16473 1/20 0.42
EGFR P00533 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
IKZF3 Q9UKT9 1/20 0.40
POLB P06746 1/20 0.39
GRM2 Q14416 1/20 0.39

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
SCHEMBL32688313 1.00 CRBN (0.44) CRBNDDB1TSHREGFRKDM4E
SCHEMBL1699146 0.83 TSHR (0.47) CRBNDDB1TSHRKDM4EALDH1A1
SCHEMBL19807936 0.79 SMN1; SMN2 (0.41) CRBNDDB1KDM4EALDH1A1POLB
SCHEMBL20595719 0.79 CYP1A2 (0.39) CRBNDDB1ALDH1A1
SCHEMBL11545313 0.78 ALDH1A1 (0.41) CRBNTSHRKDM4EALDH1A1HPGD
SCHEMBL11544043 0.77 DAPK3 (0.37) CRBNDDB1ALDH1A1IKZF3
SCHEMBL11550418 0.76 KDM4E (0.40) CRBNDDB1KDM4EALDH1A1GRM2
SCHEMBL11544625 0.76 MAPT (0.36) CRBNDDB1ALDH1A1IKZF3
SCHEMBL11545281 0.75 KDM4E (0.41) CRBNDDB1KDM4EALDH1A1HPGD
SCHEMBL11542347 0.75 TP53 (0.40) CRBNALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2022-05-24 US disclosed
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE (HK) LIMITED (HK) 2021-05-27 US disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
EP-1985445-B1 A lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2011-07-20 EP disclosed
EP-1985445-B1 A lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2011-07-20 EP disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
WO-2008132091-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-11-06 WO disclosed
EP-1985445-A1 A lithographic printing plate precursor Agfa Graphics N.V. (BE) 2008-10-29 EP disclosed
EP-1985445-A1 A lithographic printing plate precursor Agfa Graphics N.V. (BE) 2008-10-29 EP disclosed
US-4167569-A ANTICOAGULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 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-11339177-B2 Heteroaryl compounds as inhibitors of necrosis, composition and method using the same BAX, LITAF, PNLIP CRBN 2669/4885DDB1 2110/4885TSHR 3671/4885
US-20210155635-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME BAX, LITAF, PNLIP CRBN 2669/4885DDB1 2110/4885TSHR 3671/4885

“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.