SCHEMBL3535758

SCHEMBL3535758

CC[Si](C#Cc1cn(S(=O)(=O)c2ccccc2)c2ncnc(N3CCCCC3)c12)(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR2 O15552 6/20 0.40
LMNA P02545 3/20 0.39
PIK3CA P42336 2/20 0.38
HTR6 P50406 2/20 0.38
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
PDE2A O00408 1/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
CDC7 O00311 1/20 0.35
ROS1 P08922 1/20 0.35
KIT P10721 1/20 0.35
MARK3 P27448 1/20 0.35

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 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1HTTKMT2AFFAR2
SCHEMBL3533481 0.78 SMN1; SMN2 (0.46) SMN1; SMN2MEN1HTTKMT2AFFAR2
Hydrochloric Acid SCHEMBL2794514 0.69 HTR6 (0.50) MEN1KMT2AHTR6RECQLTSHR
SCHEMBL9967148 0.67 AKT1 (0.45) FFAR2HTR6ALDH1A1MAPTCDC7
SCHEMBL9966932 0.66 MEN1 (0.51) MEN1HTTKMT2ALMNAALDH1A1
SCHEMBL15456342 0.66 GPR55 (0.39) SMN1; SMN2MEN1KMT2AFFAR2HTR6
SCHEMBL3128989 0.64 HTR6 (0.42) MEN1KMT2AHTR6
SCHEMBL18265825 0.64 LRRK2 (0.49) MEN1KMT2APIK3CAALDH1A1STK3
SCHEMBL2799376 0.64 KIT (0.49) KMT2APIK3CAHTR6KIT
SCHEMBL27666049 0.64 TSHR (0.37) SMN1; SMN2MEN1HTTKMT2ALMNA

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 15 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
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 (4 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-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 SMN1; SMN2 3484/4885MEN1 1878/4885HTT 4247/4885
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 SMN1; SMN2 3484/4885MEN1 1878/4885HTT 4247/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 SMN1; SMN2 3594/4885MEN1 1601/4885HTT 4169/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 SMN1; SMN2 3484/4885MEN1 1878/4885HTT 4247/4885

“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.