SCHEMBL25933322

SCHEMBL25933322

CC(C)(C)OC(=O)c1nn(C(=O)OC(C)(C)C)c2cc(Br)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.45
CDK5 Q00535 1/20 0.45
TYRO3 Q06418 1/20 0.45
ELANE P08246 10/20 0.44
GABRG2 P18507 5/20 0.40
GABRB3 P28472 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA1 P14867 4/20 0.40
GABRA2 P47869 3/20 0.40
GABRA6 Q16445 3/20 0.40
GABRA3 P34903 2/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.37
MAP2K4 P45985 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36

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
SCHEMBL24780971 0.93 ELANE (0.53) PDGFRACDK5TYRO3ELANEUSP30
SCHEMBL8738218 0.90 PDGFRA (0.48) PDGFRACDK5TYRO3ELANEGABRG2
SCHEMBL4300088 0.90 ELANE (0.55) PDGFRACDK5TYRO3ELANEGABRG2
SCHEMBL31182074 0.90 PDGFRA (0.45) PDGFRACDK5TYRO3ELANEMAP2K4
SCHEMBL793283 0.89 ELANE (0.55) ELANEF2PLAU
SCHEMBL29850456 0.86 PDGFRA (0.42) PDGFRACDK5TYRO3ELANEMAP2K4
SCHEMBL21801028 0.86 PDGFRA (0.42) PDGFRACDK5TYRO3ELANEMAP2K4
SCHEMBL11232 0.84 PDGFRA (0.47) PDGFRACDK5TYRO3ELANEMAP2K4
SCHEMBL21801235 0.83 PDGFRA (0.40) PDGFRACDK5TYRO3ELANEMAP2K4
SCHEMBL18764614 0.83 PDGFRA (0.46) PDGFRACDK5TYRO3ELANEGABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 US disclosed
US-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 PDGFRA 1381/4885CDK5 90/4885TYRO3 669/4885

“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.