SCHEMBL21790503

SCHEMBL21790503

COc1cccc2c(=O)oc(C(F)(F)F)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.68
TNKS O95271 5/20 0.49
TNKS2 Q9H2K2 5/20 0.49
KDM4E B2RXH2 4/20 0.49
PARP2 Q9UGN5 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE4B Q07343 1/20 0.45
PDE3A Q14432 1/20 0.45
C1R P00736 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.43
AR P10275 1/20 0.41
PARP1 P09874 2/20 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
SCHEMBL13206697 0.79 ELANE (0.66) ELANETNKSTNKS2KDM4EPARP2
SCHEMBL3123413 0.79 ELANE (0.54) ELANETNKSTNKS2KDM4EPARP2
SCHEMBL15519337 0.78 ELANE (0.68) ELANECYP1A2KMT2AC1R
SCHEMBL29098687 0.78 KDM4E (0.52) ELANETNKSTNKS2KDM4EPARP2
SCHEMBL13100511 0.77 KDM4E (0.49) ELANETNKSTNKS2KDM4EPARP2
SCHEMBL8059728 0.77 ELANE (1.00) ELANEKDM4EALDH1A1HPGDMEN1
SCHEMBL26438946 0.75 KDM4E (0.50) ELANETNKSTNKS2KDM4EPARP2
SCHEMBL7424024 0.74 ELANE (0.63) ELANEKDM4EALDH1A1MEN1CYP1A2
SCHEMBL6339961 0.74 KDM4E (0.46) ELANETNKSTNKS2KDM4EPARP2
SCHEMBL22524940 0.74 ELANE (0.55) ELANETNKSTNKS2KDM4EPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3618829-B1 QUINAZOLINE-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-06-07 EP disclosed
US-11045472-B2 Quinazoline-pyridine derivatives for the treatment of cancer-related disorders ARCUS BIOSCIENCES, INC. (US) 2021-06-29 US disclosed
US-20200069689-A1 QUINAZOLINE-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2020-03-05 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 (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-20200069689-A1 QUINAZOLINE-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA3 ELANE 3191/4885TNKS 698/4885TNKS2 421/4885
US-11045472-B2 Quinazoline-pyridine derivatives for the treatment of cancer-related disorders ADORA2A, ADORA2B, ADORA1 ELANE 2838/4885TNKS 1066/4885TNKS2 873/4885

“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.