SCHEMBL614078

SCHEMBL614078

O=C(Oc1ccccc1)N1CCC2(CC1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.59
ALDH1A1 P00352 8/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
TSHR P16473 7/20 0.59
MAPK1 P28482 6/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 5/20 0.58
CYP2C19 P33261 3/20 0.58
USP2 O75604 5/20 0.56
CYP2D6 P10635 4/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP2C9 P11712 5/20 0.54
HIF1A Q16665 2/20 0.54
GAA P10253 1/20 0.54
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
CASP1 P29466 1/20 0.53

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
SCHEMBL11882343 0.80 MGLL (0.72) CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL26089744 0.80 CYP3A4 (0.64) CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL5101418 0.79 KMT2A (0.82) SMN1; SMN2TSHRTP53CYP1A2CYP2C19
SCHEMBL12745795 0.79 POLB (0.46) CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL9372725 0.79 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL2081641 0.78 MEN1 (0.66) ALDH1A1SMN1; SMN2TSHRMAPK1CYP2C19
SCHEMBL13781697 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL12769030 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRMAPK1TP53
SCHEMBL6764459 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRMAPK1NPC1
SCHEMBL1578826 0.77 ALDH1A1 (0.78) CYP3A4ALDH1A1SMN1; SMN2TSHRMAPK1

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 CYP3A4 1840/4885ALDH1A1 1927/4885SMN1; SMN2 3772/4885

“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.