SCHEMBL30875530

SCHEMBL30875530

c1n[nH]cc1-c1cnc2cc(N3CCOCC3)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 3/20 0.49
▸ PDE3A Q14432 3/20 0.49
▸ MET P08581 2/20 0.49
▸ KDR P35968 2/20 0.47
▸ BMPR1B O00238 1/20 0.47
▸ BMPR1A P36894 1/20 0.47
▸ ACVR1B P36896 1/20 0.47
▸ TGFBR1 P36897 1/20 0.47
▸ ACVRL1 P37023 1/20 0.47
▸ TGFBR2 P37173 1/20 0.47
▸ ACVR1 Q04771 1/20 0.47
▸ BMPR2 Q13873 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ LRRK2 Q5S007 3/20 0.46
▸ CHEK1 O14757 1/20 0.45
▸ MAPKAPK5 Q8IW41 2/20 0.44
▸ MAPK10 P53779 2/20 0.44
▸ JUN P05412 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ PIK3R2 O00459 3/20 0.44

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
SCHEMBL782031 0.77 SYK (0.49) PDE3BPDE3AMETKDRBMPR1B
SCHEMBL21225651 0.75 MAPT (0.50) MAPK10MAPK1CBFB
SCHEMBL782867 0.74 SYK (0.44) PDE3BPDE3AMETKDRBMPR1B
SCHEMBL24291075 0.74 FGFR2 (0.43) PDE3BPDE3AMAPK10FGFR2FGFR3
Hydrochloric Acid SCHEMBL16161694 0.74 SYK (0.44) PDE3BPDE3AMETKDRBMPR1B
SCHEMBL29400331 0.72 TLR9 (0.63) KDRACVR1CHEK1FGFR1FGFR2
SCHEMBL27090893 0.72 MAPK1 (0.52) KDRACVR1FGFR1FGFR2FGFR4
SCHEMBL29590529 0.72 MAPK1 (0.52) KDRACVR1FGFR1FGFR2FGFR4
SCHEMBL30646549 0.72 MAPK1 (0.52) KDRMAPK10FGFR1FGFR2FGFR4
SCHEMBL29071545 0.71 CHEK1 (0.53) PDE3BPDE3AMETKDRBMPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 — — US 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL PDE3B 1951/4885PDE3A 1923/4885MET 1162/4885

“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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