SCHEMBL946994

SCHEMBL946994

CCC([C]=O)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ LMNA P02545 4/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL949801 0.72 LMNA (0.39) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL9601062 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL10403268 0.72 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2PAX8HTT
SCHEMBL6845929 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL5174689 0.72 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL1453904 0.70 L3MBTL1 (0.45) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL29066508 0.69 LMNA (0.43) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL11317568 0.68 SMN1; SMN2 (0.36) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL7975341 0.68 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2
SCHEMBL10455674 0.68 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210834-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2023-07-06 — — US claimed
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 — — WO claimed
US-20230210834-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2023-07-06 — — US disclosed
WO-2021039824-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR 国立大学法人 岡山大学 2021-03-04 — — WO disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 — — US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 — — US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 — — US disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 — — US disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 — — EP disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 — — EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 — — 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 (3 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 ALDH1A1 381/4885L3MBTL1 4612/4885KDM4E 1813/4885
US-20230210834-A1 RNA METHYLTRANSFERASE INHIBITOR, SCREENING METHOD THEREFOR, ANTI-CANCER AGENT EFFICACY ASSESSMENT MARKER, AND KIT FOR EFFECTIVELY PREDICTING FTSJ1 INHIBITOR EMG1, TRDMT1, BCDIN3D ALDH1A1 2647/4885L3MBTL1 826/4885KDM4E 1740/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 ALDH1A1 381/4885L3MBTL1 4612/4885KDM4E 1813/4885

“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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