SCHEMBL612330

SCHEMBL612330

c1ccc(NC2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.38
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TRPA1 O75762 1/20 0.36
CCR5 P51681 1/20 0.35
GAA P10253 1/20 0.35
CCR6 P51684 1/20 0.34

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
SCHEMBL25354731 0.83 TRPA1 (0.39) ALDH1A1L3MBTL1GFERPOLBDDB1
SCHEMBL25039616 0.79 MAPT (0.38) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL25041526 0.79 RAB9A (0.40) KMT2APKMLMNAMAPTPOLB
SCHEMBL566106 0.77 IDO1 (0.39) ALDH1A1KMT2APKMLMNAMAPT
SCHEMBL2604453 0.77 KDM4E (0.58) ALDH1A1KMT2APKMMEN1LMNA
SCHEMBL3696096 0.76 CARM1 (0.52) ALDH1A1CARM1PRMT6KMT2AL3MBTL1
SCHEMBL236978 0.76 CARM1 (0.52) ALDH1A1CARM1PRMT6KMT2AL3MBTL1
SCHEMBL31303190 0.76 IDH1 (0.43) ALDH1A1CARM1PRMT6KMT2AL3MBTL1
SCHEMBL31053481 0.76 LMNA (0.49) ALDH1A1CARM1PRMT6KMT2AL3MBTL1
SCHEMBL632436 0.75 MAPK1 (0.52) ALDH1A1CARM1PRMT6KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403857-B1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-12-04 EP disclosed
US-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 US disclosed
EP-2403857-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2012-01-11 EP disclosed
WO-2010101302-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-10 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 (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-20120040981-A1 THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS CDC7, CDK7, DTYMK ALDH1A1 1927/4885CARM1 1464/4885PRMT6 549/4885

“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.