SCHEMBL4876779

SCHEMBL4876779

Nc1nc(-c2ccc(F)c(F)c2)ns1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.55
ADORA1 P30542 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2B P29275 1/20 0.55
CYP19A1 P11511 1/20 0.41
GPR68 Q15743 1/20 0.40
MPL P40238 3/20 0.38
MAPT P10636 2/20 0.38
SNCA P37840 1/20 0.38
DPP4 P27487 1/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
PIM1 P11309 2/20 0.36
NPC1 O15118 2/20 0.36
PIM2 Q9P1W9 1/20 0.36
KLK7 P49862 1/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 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
SCHEMBL4868905 0.82 MPL (0.58) ADORA2AADORA1ADORA3ADORA2BMPL
SCHEMBL4868755 0.81 ADORA3 (0.53) ADORA2AADORA1ADORA3ADORA2BCYP19A1
Hydrochloric Acid SCHEMBL4877713 0.81 MPL (0.57) ADORA2AADORA1ADORA3ADORA2BMPL
SCHEMBL16238754 0.79 ADORA3 (0.66) ADORA2AADORA1ADORA3ADORA2BCYP19A1
SCHEMBL9852272 0.76 ADORA3 (0.66) ADORA2AADORA1ADORA3ADORA2BCYP19A1
SCHEMBL9852130 0.75 NPC1 (0.58) ADORA2AADORA1ADORA3ADORA2BCYP19A1
SCHEMBL27095781 0.74 NOTUM (0.47) ADORA2AADORA1GPR68MAPTDPP4
SCHEMBL32675514 0.74 NOTUM (0.47) ADORA2AADORA1GPR68MAPTDPP4
SCHEMBL11327119 0.74 ADORA2A (0.62) ADORA2AADORA1ADORA3ADORA2BCYP19A1
SCHEMBL20267788 0.73 ADORA3 (0.47) ADORA2AADORA1ADORA3ADORA2BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 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-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R ADORA2A 298/4885ADORA1 366/4885ADORA3 393/4885

“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.