SCHEMBL13057731

SCHEMBL13057731

CC(C)n1cc2cc[nH]c2nc1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.39
ADORA1 P30542 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX7 Q99572 4/20 0.33
NTRK1 P04629 2/20 0.33
BRD9 Q9H8M2 2/20 0.32
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
PIK3CA P42336 1/20 0.32
AXL P30530 1/20 0.32
NUDT1 P36639 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
DYRK1A Q13627 1/20 0.31
ESR1 P03372 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL18080573 0.82 ADORA2A (0.50) ADORA2AADORA1P2RX3NTRK1BRD9
SCHEMBL18080595 0.79 ADORA2A (0.34) ADORA2ANTRK1AXLNUDT1
SCHEMBL1104596 0.78 PDE3B (0.37) PIK3CA
SCHEMBL13183286 0.77 BRD4 (0.42) ADORA2AADORA1P2RX7BRD9BRD4
SCHEMBL18080612 0.71 ADORA2B (0.36) ADORA2AADORA1
SCHEMBL18080605 0.71 ALDH1A1 (0.36) ADORA2AADORA1P2RX7BRD4
SCHEMBL18080606 0.70 CASP3 (0.32)
SCHEMBL18080525 0.70 CASP3 (0.31)
SCHEMBL18080597 0.70 ADORA2A (0.33) ADORA2A
SCHEMBL18080430 0.70 BRD4 (0.38) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
US-7842672-B2 Phosphonate inhibitors of HCV GILEAD SCIENCES, INC. (US) 2010-11-30 US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 US disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 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-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E ADORA2A 4821/4885ADORA1 4594/4885P2RX3 4491/4885
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 ADORA2A 545/4885ADORA1 199/4885P2RX3 2337/4885

“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.