SCHEMBL2018963

SCHEMBL2018963

c1nc(N2CCCCCC2)c2cc[nH]c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 1.00
HTR2C P28335 1/20 0.74
AKT2 P31751 4/20 0.70
GSK3B P49841 3/20 0.70
KIT P10721 2/20 0.70
LCK P06239 1/20 0.68
DOT1L Q8TEK3 2/20 0.68
JAK2 O60674 1/20 0.64
RPS6KB1 P23443 1/20 0.59
AKT1 P31749 1/20 0.57

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
SCHEMBL3959075 1.00 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL1048998 1.00 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL1818852 0.98 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL31550436 0.95 JAK3 (0.93) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL2024857 0.86 HTR2C (0.89) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL2251760 0.85 HTR2C (1.00) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL10232192 0.85 JAK3 (0.72) JAK3HTR2CAKT2GSK3BLCK
Piperazine SCHEMBL7852092 0.84 HTR2C (0.97) JAK3HTR2CAKT2GSK3BKIT
Hydrochloric Acid SCHEMBL2794687 0.84 HTR2C (0.97) JAK3HTR2CAKT2GSK3BKIT
SCHEMBL31499276 0.84 JAK3 (1.00) JAK3HTR2CAKT2GSK3BKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 US disclosed
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 US disclosed
EP-1087971-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885HTR2C 3411/4885AKT2 1555/4885
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 JAK3 2/4885HTR2C 3868/4885AKT2 731/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885HTR2C 3411/4885AKT2 1555/4885

“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.