SCHEMBL20935256

SCHEMBL20935256

Cc1[nH]c2cc(N3CCOCC3)ccc2c1CC(NN)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
KLK6 Q92876 1/20 0.45
KIF11 P52732 3/20 0.41
BRD4 O60885 2/20 0.39
EGFR P00533 2/20 0.39
CDK2 P24941 2/20 0.39
CSF1R P07333 1/20 0.39
PDGFRA P16234 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 2/20 0.38

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
SCHEMBL18029358 0.86 JAK2 (0.45) JAK2JAK1TYK2JAK3KLK6
SCHEMBL19872670 0.81 LRRK2 (0.39) JAK2JAK1TYK2JAK3CSF1R
SCHEMBL18029159 0.79 KIF11 (0.47) KLK6KIF11EGFRCDK2MEN1
SCHEMBL21392032 0.78 KLK6 (0.47) JAK2JAK1TYK2JAK3KLK6
SCHEMBL21392230 0.71 KIF11 (0.50) KLK6KIF11EGFRCDK2MEN1
SCHEMBL31025881 0.70 ALDH1A1 (0.53) JAK2JAK1TYK2JAK3KIF11
SCHEMBL20120034 0.69 GRIK1 (0.38) JAK2JAK1TYK2JAK3KLK6
SCHEMBL19871236 0.67 PTPRA (0.56) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18028986 0.67 PTPRA (0.56) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18029390 0.67 PTGS2 (0.41) JAK2JAK1TYK2JAK3CSF1R

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-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-04-25 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-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR JAK2 4632/4885JAK1 4676/4885TYK2 3966/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR JAK2 4632/4885JAK1 4676/4885TYK2 3966/4885

“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.