SCHEMBL3535463

SCHEMBL3535463

O=S(=O)(c1ccccc1)n1cc(I)c2c(N3CCCCC3)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FFAR2 O15552 5/20 0.46
HTR6 P50406 4/20 0.44
LMNA P02545 3/20 0.43
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
LRRK2 Q5S007 2/20 0.41
CDC7 O00311 1/20 0.41
ROS1 P08922 1/20 0.41
KIT P10721 1/20 0.41
MARK3 P27448 1/20 0.41
FLT3 P36888 1/20 0.41
CDK8 P49336 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
SCHEMBL3533481 0.86 SMN1; SMN2 (0.46) SMN1; SMN2HTTMEN1KMT2AFFAR2
SCHEMBL3535758 0.78 SMN1; SMN2 (0.40) SMN1; SMN2HTTMEN1KMT2AFFAR2
SCHEMBL1585075 0.78 BRD4 (0.43) BRD4RAB9ALRRK2MARK3FLT3
SCHEMBL2540233 0.78 BRD4 (0.51) SMN1; SMN2HTTMEN1KMT2AHTR6
SCHEMBL1585008 0.78 BRD4 (0.43) HTTMEN1KMT2AHTR6LMNA
SCHEMBL2600002 0.77 FFAR2 (0.43) FFAR2HTR6BRD4ALDH1A1
SCHEMBL2547183 0.76 BRD4 (0.43) FFAR2HTR6BRD4
SCHEMBL2110804 0.75 BRD4 (0.43) MEN1KMT2AHTR6BRD4ALDH1A1
Hydrochloric Acid SCHEMBL2794514 0.74 HTR6 (0.50) MEN1KMT2AHTR6RECQL
SCHEMBL30295279 0.71 MEN1 (0.44) MEN1KMT2ARAB9AKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 US disclosed
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2005-08-04 US disclosed
US-6890929-B2 Immunosuppressants; lupus, multiple sclerosis, skin disorders, antiarthritic agents, antihistamines, antiulcer agents, Crohn's disease PFIZER, INC. (US) 2005-05-10 US disclosed
US-20050090496-A1 Sulphonyl compounds with 5-ht6 receptor affinity GLAXO GROUP LIMITED (GB) 2005-04-28 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 US disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 US disclosed
US-6610847-B2 Tyrosine kinase inhibitors; immunosuppressants PFIZER INC. 2003-08-26 US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 US disclosed
EP-1087971-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
EP-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065909-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 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 (5 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-20050090496-A1 Sulphonyl compounds with 5-ht6 receptor affinity HTR6, HTR4, HTR5A SMN1; SMN2 862/4885HTT 373/4885MEN1 3904/4885
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 SMN1; SMN2 3484/4885HTT 4247/4885MEN1 1878/4885
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 SMN1; SMN2 3484/4885HTT 4247/4885MEN1 1878/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 SMN1; SMN2 3594/4885HTT 4169/4885MEN1 1601/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 SMN1; SMN2 3484/4885HTT 4247/4885MEN1 1878/4885

“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.