SCHEMBL7090301

SCHEMBL7090301

CC(CN)COc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 6/20 0.54
SIGMAR1 Q99720 4/20 0.51
CYP1A2 P05177 1/20 0.46
MAOB P27338 4/20 0.46
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL5663771 0.82 SIGMAR1 (0.53) SCN4ASIGMAR1CYP1A2MAOBKMT2A
SCHEMBL16790621 0.82 SCN4A (0.55) SCN4ACYP1A2KMT2ASMN1; SMN2
SCHEMBL5661525 0.82 SIGMAR1 (0.53) SCN4ASIGMAR1CYP1A2MAOBKMT2A
SCHEMBL8607930 0.80 SCN4A (0.58) SCN4ASIGMAR1CYP1A2
SCHEMBL10925634 0.80 LMNA (0.59) SCN4A
SCHEMBL2312172 0.79 SCN4A (0.52) SCN4ASIGMAR1CYP1A2MAOBKMT2A
SCHEMBL3441819 0.78 SCN4A (0.61) SCN4ASIGMAR1CYP1A2MAOBPPARG
SCHEMBL12461736 0.78 MMP2 (0.49) SCN4AMAOB
SCHEMBL6453813 0.77 PPARG (0.47) SCN4ASIGMAR1CYP1A2KMT2APPARG
SCHEMBL773201 0.77 CYP1A2 (0.63) SCN4ACYP1A2KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 SCN4A 4676/4885SIGMAR1 4528/4885CYP1A2 1601/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 SCN4A 4676/4885SIGMAR1 4528/4885CYP1A2 1601/4885

“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.