SCHEMBL21216366

SCHEMBL21216366

CC(C)(C)c1cccc2c1CC(=O)NC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.35
CA2 P00918 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PARP1 P09874 2/20 0.33
CREBBP Q92793 1/20 0.32
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
AURKA O14965 2/20 0.31
AHR P35869 2/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PDK2 Q15119 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAP3K9 P80192 1/20 0.30

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
SCHEMBL21230425 0.77 PARP1 (0.42) CA12CA9PARP1CREBBPALDH1A1
SCHEMBL9419793 0.75 CYP1A2 (0.46) CA2ALDH1A1GABRA1GABRB2KIF11
SCHEMBL31021289 0.74 SRD5A1 (0.37) CA12CA9PARP1ALDH1A1AKR1C3
SCHEMBL19644013 0.74 AHR (0.49) CA12CA9PARP1ALDH1A1AKR1C3
SCHEMBL21216431 0.73 HSP90AB1 (0.34) CA2CA12CA9PARP1CREBBP
SCHEMBL16559767 0.73 CA2 (0.40) CA2ALDH1A1GABRA1GABRB2KIF11
SCHEMBL21216365 0.72 AURKA (0.50) CA2CA12CA9PARP1AURKA
SCHEMBL13801874 0.72 DHPS (0.51) DHPSCREBBPAHRPDK2
SCHEMBL6905672 0.71 CA2 (0.41) CA2ALDH1A1GABRA1GABRB2ALOX15
SCHEMBL22885765 0.70 PDE3B (0.36) CA2CA12CA9PARP1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 US disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 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 (5 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP DHPS 4624/4885CA2 3042/4885CA12 4238/4885
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP DHPS 255/4885CA2 4344/4885CA12 4041/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A DHPS 269/4885CA2 3974/4885CA12 4286/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP DHPS 4624/4885CA2 3042/4885CA12 4238/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP DHPS 4624/4885CA2 3042/4885CA12 4238/4885

“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.