SCHEMBL3533481

SCHEMBL3533481

O=S(=O)(c1ccccc1)n1cc(Br)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 5/20 0.44
LRRK2 Q5S007 2/20 0.44
CDC7 O00311 1/20 0.44
ROS1 P08922 1/20 0.44
KIT P10721 1/20 0.44
MARK3 P27448 1/20 0.44
FLT3 P36888 1/20 0.44
CDK8 P49336 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MAP3K10 Q02779 1/20 0.44
STK3 Q13188 1/20 0.44
MELK Q14680 1/20 0.44
MARK4 Q96L34 1/20 0.44
CAMKK2 Q96RR4 1/20 0.44
SIK2 Q9H0K1 1/20 0.44

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
SCHEMBL3535463 0.86 SMN1; SMN2 (0.46) SMN1; SMN2HTTMEN1KMT2AFFAR2
SCHEMBL9967148 0.84 AKT1 (0.45) FFAR2HTR6LRRK2CDC7MARK3
SCHEMBL3648671 0.81 AKT1 (0.40) FFAR2HTR6LRRK2KIT
SCHEMBL4216007 0.81 AKT1 (0.40) FFAR2HTR6LRRK2KIT
SCHEMBL15456342 0.81 GPR55 (0.39) SMN1; SMN2MEN1KMT2AFFAR2HTR6
SCHEMBL15456340 0.81 LRRK2 (0.41) SMN1; SMN2MEN1KMT2AFFAR2LRRK2
SCHEMBL2798747 0.80 KIT (0.49) MEN1KMT2AHTR6KITPIK3CA
SCHEMBL27665895 0.80 MEN1 (0.38) SMN1; SMN2HTTMEN1KMT2AHTR6
SCHEMBL9967208 0.80 MEN1 (0.53) HTTMEN1KMT2ALMNAALDH1A1
Tert-Butyl Formate SCHEMBL27665896 0.80 HTR6 (0.43) HTR6

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-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed
WO-1999065909-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.