SCHEMBL29318229

SCHEMBL29318229

CN(C)C(=O)c1ccc2nccc(Cl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 8/20 0.46
CYP3A4 P08684 7/20 0.46
LMNA P02545 6/20 0.46
CYP1A2 P05177 5/20 0.46
CYP2C9 P11712 1/20 0.46
DYRK1B Q9Y463 1/20 0.45
CDK8 P49336 2/20 0.42
CCNC P24863 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
SLC40A1 Q9NP59 1/20 0.41
USP2 O75604 5/20 0.40
CYP2D6 P10635 4/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PDE5A O76074 1/20 0.40
HIF1A Q16665 2/20 0.39
PDE4B Q07343 1/20 0.39
GAA P10253 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
SCHEMBL2174230 0.88 SMYD3 (0.48) CLK4CYP3A4LMNACYP1A2CYP2C9
SCHEMBL31464297 0.84 DYRK1B (0.46) CLK4CYP3A4LMNACYP1A2CYP2C9
SCHEMBL15043774 0.83 SLC2A1 (0.53) LMNADYRK1BSMN1; SMN2MAPK1ALDH1A1
SCHEMBL22113898 0.81 DOT1L (0.41) LMNACYP1A2CYP2C9DYRK1BMAPK1
SCHEMBL7689552 0.81 TSHR (0.48) LMNAPOLBMAPK1ALDH1A1GAA
SCHEMBL7230935 0.80 MAP4K4 (0.43) DYRK1BCDK8
SCHEMBL12663556 0.79 LMNA (0.42) LMNADYRK1BSMN1; SMN2ALDH1A1PDE4B
SCHEMBL1299987 0.79 ALOX15 (0.56) LMNAMAPK1ALDH1A1GAA
SCHEMBL27159840 0.79 PLK1 (0.56) DYRK1BCDK8CCNCSMN1; SMN2POLB
SCHEMBL28940987 0.77 POLB (0.61) CLK4CYP3A4LMNACYP1A2CYP2C9

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-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
US-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
US-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CHENGDU ANTICANCER BIOSCIENCE LTD (CN) 2024-07-18 US disclosed
EP-4330233-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2024-03-06 EP disclosed
CN-117321036-A phenyl-O-quinoline, quinazoline, thienopyridine, thienopyrimidine, pyrrolopyridine, pyrrolopyrimidine compounds having anticancer activity 成都安泰康赛生物科技有限公司 2023-12-29 CN disclosed
WO-2022228549-A1 PHENYL -O-QUINOLINE, QUINAZOLINE, THIENOPYRIDINE, THIENOPYRIMIDINE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE COMPOUNDS HAVING ANTICANCER ACTIVITY Chengdu Anticancer Bioscience, Ltd. (CN) 2022-11-03 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 (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-20240239806-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, CPT1A, OAT CLK4 3194/4885CYP3A4 1019/4885LMNA 1113/4885

“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.