SCHEMBL30234371

SCHEMBL30234371

Cc1cc(Nc2ccc(NC(=O)c3c[nH]c4ncccc34)cc2)nc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.46
▸ CDK2 P24941 7/20 0.45
▸ CCNE1 P24864 5/20 0.45
▸ DNMT1 P26358 1/20 0.45
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30165658 0.87 HRH3 (0.53) CDK2CCNE1DNMT1MAPTLMNA
SCHEMBL23859943 0.87 HRH3 (0.53) CDK2CCNE1DNMT1MAPTLMNA
SCHEMBL23867524 0.86 HCRTR1 (0.52) ROCK1CDK2CCNE1HCRTR1HCRTR2
SCHEMBL23867526 0.78 CCNE1 (0.48) CDK2CCNE1DNMT1MAPTLMNA
SCHEMBL30234364 0.78 CCNE1 (0.48) CDK2CCNE1DNMT1MAPTLMNA
SCHEMBL23867521 0.78 HTR1A (0.50) CDK2CCNE1LMNAALDH1A1KDM4E
SCHEMBL23867485 0.77 HCRTR1 (0.46) HCRTR1HCRTR2LMNAALDH1A1KDM4E
SCHEMBL31094225 0.77 CCNE1 (0.49) ROCK1CDK2CCNE1DNMT1MAPT
SCHEMBL23867476 0.76 HRH3 (0.55) CDK2CCNE1ROCK2
SCHEMBL23867509 0.75 CCNE1 (0.50) ROCK1CDK2CCNE1DNMT1MAPT

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
WO-2023055763-A2 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTRAL CANCER THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2023-04-06 — — WO disclosed
US-20230103444-A1 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER UNITED STATES GOVERNMENT 2023-04-06 — — 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 (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-20230103444-A1 SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER CHD1L, CHD1, CHD9 ROCK1 153/4885CDK2 1675/4885CCNE1 1072/4885

“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.

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