SCHEMBL22955787

SCHEMBL22955787

Cc1cccc(C#Cc2ccc3ncc(C(=O)NCCN4CCOCC4)n3c2)n1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.67
PIK3CD O00329 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
GBA1 P04062 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
ACACB O00763 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL21084232 0.80 TGFBR1 (1.00) TGFBR1
SCHEMBL22955994 0.80 TGFBR1 (1.00) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL22955825 0.80 TGFBR1 (0.59) TGFBR1
SCHEMBL21083380 0.80 TGFBR1 (0.66) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL22955790 0.77 TGFBR1 (0.56) TGFBR1NPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL22955826 0.76 TGFBR1 (0.46) TGFBR1
SCHEMBL21084195 0.76 TGFBR1 (0.61) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL22956119 0.76 GRM5 (0.47) TGFBR1NPC1KMT2ASMN1; SMN2KDM4E
SCHEMBL22955823 0.76 TGFBR1 (0.57) TGFBR1
SCHEMBL24654175 0.76 TGFBR1 (0.60) TGFBR1PIK3CDPIK3R1PIK3CAPIK3CB

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-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 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-20210032242-A1 AROMATIC HETEROCYCLIC SUBSTITUTED OLEFIN COMPOUND, PREPARATION METHOD FOR SAME, PHARMACEUTICAL COMPOSITION OF SAME, AND APPLICATIONS THEREOF ALK, ALKBH5, ALKBH3 TGFBR1 599/4885PIK3CD 1667/4885PIK3R1 2377/4885

“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.