SCHEMBL4770813

SCHEMBL4770813

Cc1cc(=O)n(Cc2ccccc2F)c(=O)n1Cc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
ALDH1A1 P00352 8/20 0.57
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 2/20 0.54
NPC1 O15118 1/20 0.54
KDM4E B2RXH2 4/20 0.52
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 5/20 0.48
HPGD P15428 1/20 0.46
GNRHR P30968 1/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL7835720 0.77 KMT2A (0.69) ALDH1A1KMT2AKDM4ELMNAMAPK1
SCHEMBL3985336 0.76 L3MBTL1 (0.50) L3MBTL1ALDH1A1KMT2APOLBTSHR
SCHEMBL16986848 0.75 CASR (0.40) L3MBTL1ALDH1A1KMT2APOLBTSHR
SCHEMBL7423882 0.74 L3MBTL1 (0.51) L3MBTL1ALDH1A1KMT2APOLBTSHR
SCHEMBL10413206 0.73 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2APOLBTSHR
SCHEMBL3980631 0.73 L3MBTL1 (0.50) L3MBTL1ALDH1A1TSHRNPC1KDM4E
SCHEMBL129442 0.73 S1PR4 (0.41) KMT2ALMNAMAPTGNRHRS1PR4
SCHEMBL127817 0.72 S1PR4 (0.40) ALDH1A1KMT2ANPC1KDM4EMAPT
SCHEMBL4613088 0.70 KDM4E (0.52) L3MBTL1ALDH1A1KMT2APOLBTSHR
SCHEMBL8182761 0.69 KMT2A (0.43) L3MBTL1ALDH1A1KMT2APOLBTSHR

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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 (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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 L3MBTL1 2622/4885ALDH1A1 1178/4885KMT2A 1806/4885

“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.