SCHEMBL14665437

SCHEMBL14665437

OB(O)c1cnc2ccoc2c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.35
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
DYRK1A Q13627 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
SCHEMBL1269987 0.75 FTO (0.40) PDE4BPDE4DDYRK1A
SCHEMBL20658722 0.72 ENPP2 (0.48) ENPP2DYRK1A
SCHEMBL13459982 0.71 DYRK1A (0.40) PDE4BPDE4DDYRK1A
SCHEMBL827713 0.71 CYP1A2 (0.44) DYRK1A
SCHEMBL31168473 0.71 CYP1A2 (0.44) DYRK1A
SCHEMBL457106 0.71 DYRK1A (0.38) PDE4BPDE4DDYRK1A
SCHEMBL31168602 0.71 TRPA1 (0.34) PDE4BPDE4DDYRK1A
SCHEMBL3802865 0.70 RECQL (0.36) PDE4BPDE4DDYRK1A
SCHEMBL31482800 0.70 PIK3CD (0.37) ENPP2
SCHEMBL27240718 0.70 PIK3CD (0.37) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605003-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-9605003-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed
US-20150246932-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-09-03 US disclosed
US-20150246932-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-09-03 US disclosed
US-9056877-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-06-16 US disclosed
US-9056877-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-06-16 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 US disclosed
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 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-20150246932-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ENPP2 473/4885PDE4B 338/4885PDE4D 449/4885
US-20130029984-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB ENPP2 473/4885PDE4B 338/4885PDE4D 449/4885

“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.