SCHEMBL22729664

SCHEMBL22729664

Cc1cn(C)c(=O)c2c(C(=O)NCC3CC3)cn(C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.47
CNR2 P34972 3/20 0.43
CNR1 P21554 2/20 0.43
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 1/20 0.38
PDE10A Q9Y233 2/20 0.38
BRD4 O60885 3/20 0.38
HTR7 P34969 1/20 0.37
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RX7 Q99572 2/20 0.36
IL1B P01584 1/20 0.36

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
SCHEMBL22729523 0.94 KMT2A (0.47) MAP2K1CNR2CNR1KDM4EKMT2A
SCHEMBL22729775 0.81 MAP2K1 (0.43) MAP2K1CNR2CNR1KDM4EKMT2A
SCHEMBL22755267 0.80 KDM4E (0.44) MAP2K1CNR2CNR1KDM4EKMT2A
SCHEMBL22729689 0.78 TAF1 (0.43) KDM4EALDH1A1
SCHEMBL22729800 0.78 ALDH1A1 (0.55) CNR2CNR1KMT2AALDH1A1HPGD
SCHEMBL22729486 0.77 BRD4 (0.65) CNR2CNR1KDM4EKMT2AALDH1A1
SCHEMBL22729732 0.76 CNR2 (0.37) CNR2KDM4EKMT2AALDH1A1PKM
SCHEMBL23116406 0.76 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL23116405 0.76 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL22729446 0.76 ALDH1A1 (0.40) KMT2AALDH1A1SMN1; SMN2NPSR1

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 MAP2K1 3859/4885CNR2 801/4885CNR1 856/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC MAP2K1 3929/4885CNR2 804/4885CNR1 851/4885

“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.