SCHEMBL4520873

SCHEMBL4520873

COc1cccc(Nc2nc(Cl)ncc2[N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.67
JAK2 O60674 1/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
GSK3B P49841 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.48
SYK P43405 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FBP1 P09467 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL15145623 0.85 PIN1 (0.70) PIN1MEN1KMT2AMAPTGSK3B
SCHEMBL28214992 0.84 PIN1 (0.62) PIN1JAK2MEN1KMT2AMAPT
SCHEMBL19958511 0.84 PIN1 (0.72) PIN1MEN1KMT2AMAPTHPGD
SCHEMBL28112936 0.83 PIN1 (0.57) PIN1JAK2MEN1KMT2AMAPT
SCHEMBL21647422 0.82 PIN1 (0.62) PIN1JAK2MEN1KMT2AMAPT
SCHEMBL8298036 0.82 PIN1 (0.72) PIN1GSK3BFBP1
SCHEMBL656001 0.82 PIN1 (0.72) PIN1MEN1KMT2AMAPTGSK3B
SCHEMBL13303630 0.82 PIN1 (0.72) PIN1MEN1KMT2AMAPTGSK3B
SCHEMBL30306428 0.81 BRD4 (0.58) MEN1KMT2AMAPTABCG2SYK
SCHEMBL18739955 0.81 BRD4 (0.58) MEN1KMT2AMAPTABCG2SYK

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-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
US-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
US-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2009-01-22 US disclosed
WO-2007035873-A1 PURINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-29 WO disclosed
WO-2007035873-A1 PURINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-03-29 WO 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-20090023723-A1 Purinone derivatives for treating neurodegenerative diseases ADORA2A, P2RX6, P2RX5 PIN1 4654/4885JAK2 2663/4885MEN1 4714/4885

“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.