SCHEMBL1895620

SCHEMBL1895620

Fc1ccnc(-n2cccn2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 3/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK10 P53779 1/20 0.54
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
ADRA1A P35348 2/20 0.41
F2RL1 P55085 1/20 0.41

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
SCHEMBL23888697 0.79 LMNA (0.50) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL2715150 0.78 GRM5 (0.46) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL8008287 0.78 GRM5 (0.56) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL14238224 0.78 NOTUM (0.52) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL2729506 0.78 GRM5 (0.46) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL27150414 0.77 ADRB1 (0.49) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL3462062 0.74 LMNA (0.57) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL9521570 0.74 SMN1; SMN2 (0.67) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL25301995 0.74 LOXL2 (0.54) GRM5SMN1; SMN2HTTKDM4ELMNA
SCHEMBL21423380 0.74 GRM5 (0.46) GRM5SMN1; SMN2HTTKDM4ELMNA

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-7964534-B2 Nuclear magnetic resonance assembly of chemical entities using advanced antenna probes TRIAD LIQUIDATING COMPANY, LLC (US) 2011-06-21 US disclosed
US-20110118148-A1 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES TRIAD LIQUIDATING COMPANY, LLC 2011-05-19 US disclosed
EP-1611425-A2 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES Triad Therapeutics, Inc. (US) 2006-01-04 EP disclosed
WO-2004083814-A2 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES TRIAD THERAPEUTICS, INC. (US) 2004-09-30 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-20110118148-A1 NUCLEAR MAGNETIC RESONANCE ASSEMBLY OF CHEMICAL ENTITIES USING ADVANCED ANTENNA PROBES AURKAIP1, MRPS27, ATRIP GRM5 1086/4885SMN1; SMN2 4598/4885HTT 3679/4885

“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.