SCHEMBL22930552

SCHEMBL22930552

CCC(C)n1cnc2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.40
JAK2 O60674 8/20 0.38
JAK3 P52333 8/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNH2 Q12809 2/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
LTA4H P09960 1/20 0.36
DYRK1A Q13627 2/20 0.35
NFATC1 O95644 1/20 0.35
GSK3B P49841 1/20 0.35
FGFR1 P11362 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL1106468 0.83 NFATC1 (0.45) EGFRJAK2JAK3MEN1HPGD
SCHEMBL3867305 0.78 HPGD (0.60) ADORA2AADORA2BADORA1MEN1HPGD
SCHEMBL21311347 0.77 ADA (0.36) JAK2JAK3KCNH2CYP2C9IDO1
SCHEMBL8655610 0.75 CYP2C9 (0.38) JAK2JAK3KCNH2CYP2C9IDO1
SCHEMBL18250728 0.74 NPC1 (0.43) EGFRADORA2AADORA2BADORA1MEN1
SCHEMBL12420918 0.73 ADORA2A (0.43) EGFRADORA2AADORA2BADORA1MEN1
SCHEMBL19848137 0.73 BRD4 (0.39) EGFRADORA2AADORA2BADORA1MEN1
SCHEMBL18250251 0.73 MEN1 (0.40) EGFRADORA2AADORA2BADORA1MEN1
SCHEMBL7975287 0.73 LTA4H (0.48) MEN1HPGDKMT2AHSD17B10LTA4H
SCHEMBL12413753 0.72 POLB (0.53) JAK2JAK3ADORA2AKCNH2LTA4H

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-10906918-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer GENENTECH, INC. (US) 2021-02-02 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-10906918-B2 Process for the preparation of tricyclic PI3K inhibitor compounds and methods for using the same for the treatment of cancer PIK3CA, PIK3CD, PIK3CB EGFR 168/4885JAK2 101/4885JAK3 195/4885

“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.