SCHEMBL22729689

SCHEMBL22729689

Cc1cn(C)c(=O)c2c(C(=O)NC3CCN(CC4CC4)CC3)cn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 1/20 0.43
CECR2 Q9BXF3 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
AXL P30530 1/20 0.39
FLT3 P36888 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR4 Q13639 1/20 0.39
CCR1 P32246 1/20 0.38
DRD4 P21917 2/20 0.37

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
SCHEMBL22729845 0.84 POLB (0.64) POLBALDH1A1KDM4EDRD4
SCHEMBL22729800 0.83 ALDH1A1 (0.55) ALDH1A1
SCHEMBL22729838 0.80 POLB (0.56) POLBALDH1A1KDM4EDRD4
SCHEMBL22729552 0.80 TAF1 (0.44) TAF1CECR2BRD9POLBALDH1A1
SCHEMBL22729822 0.79 ALDH1A1 (0.46) TAF1CECR2BRD9ALDH1A1
SCHEMBL22729650 0.79 ALDH1A1 (0.41) TAF1CECR2BRD9ALDH1A1
SCHEMBL22729664 0.78 MAP2K1 (0.47) ALDH1A1KDM4E
SCHEMBL23116394 0.78 TAF1 (0.42) TAF1CECR2BRD9ALDH1A1KDM4E
SCHEMBL22729760 0.78 TAF1 (0.42) TAF1CECR2BRD9ALDH1A1KDM4E
SCHEMBL22729861 0.78 TAF1 (0.42) TAF1CECR2BRD9ALDH1A1

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
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 EP 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 (2 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC TAF1 3412/4885CECR2 1109/4885BRD9 2497/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC TAF1 3452/4885CECR2 1083/4885BRD9 2508/4885

“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.