SCHEMBL4875980

SCHEMBL4875980

CCn1c(CCOCc2ccccc2)nc(C(F)(F)F)c1Sc1cc(Cl)cc(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 2/20 0.32
ACSS2 Q9NR19 1/20 0.31
SLC5A2 P31639 1/20 0.30
PIM1 P11309 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
SCHEMBL4902928 0.94 TSHR (0.36) TSHRACSS2
SCHEMBL4905168 0.92 TSHR (0.35) TSHRPOLBADRB2HTTSMN1; SMN2
SCHEMBL4883328 0.87 TSHR (0.33) TSHRPOLBADRB2HTTSMN1; SMN2
SCHEMBL4901053 0.86 TSHR (0.37) TSHRACSS2
SCHEMBL4896718 0.83 MAOB (0.34)
SCHEMBL4879792 0.82
SCHEMBL4890931 0.81 TSHR (0.35) TSHRACSS2
SCHEMBL4884136 0.80 SMN1; SMN2 (0.31) TSHRPOLBADRB2HTTSMN1; SMN2
SCHEMBL4903034 0.78 NOS2 (0.36) TSHR
SCHEMBL4884251 0.78 ALDH1A1 (0.31) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
EP-1838679-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS Pfizer Limited (GB) 2007-10-03 EP disclosed
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 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-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A TSHR 1981/4885POLB 13/4885ADRB2 1871/4885

“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.