SCHEMBL4069150

SCHEMBL4069150

NC(=O)c1[c]ccc(NCCN2CCCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
FLT3 P36888 1/20 0.47
PIM3 Q86V86 1/20 0.47
BRSK1 Q8TDC3 1/20 0.47
AURKB Q96GD4 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
TERT O14746 1/20 0.40
ACHE P22303 1/20 0.39
MAP4K4 O95819 1/20 0.38
SIGMAR1 Q99720 8/20 0.38
TMEM97 Q5BJF2 1/20 0.38
TNIK Q9UKE5 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
ACP1 P24666 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KCNH2 Q12809 3/20 0.37

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
SCHEMBL4272870 0.82 KDM4E (0.49) SIGMAR1ACP1
SCHEMBL2793769 0.79 IKBKB (0.40) PIM1PIM3BRSK1AURKBMKNK2
SCHEMBL2790826 0.75 HCAR3 (0.37) MKNK2CCNA2CDK2KCNH2
SCHEMBL2791507 0.75 HCAR3 (0.44)
SCHEMBL4072626 0.75 HRH3 (0.47) PIM1SIGMAR1TMEM97TNIKCSNK2A1
SCHEMBL1126248 0.74 ALDH1A1 (0.38)
SCHEMBL2792642 0.74 CD38 (0.41) KCNH2
SCHEMBL2791917 0.73 VCP (0.38) PIM1KCNH2
SCHEMBL2790959 0.73 ALDH1A1 (0.40) PIM1
SCHEMBL30969255 0.71 NNMT (0.50) PIM1FLT3PIM3BRSK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686130-B1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents PFIZER PROD INC (US) 2009-02-18 EP disclosed
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2007-07-12 US disclosed
US-7192963-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC (US) 2007-03-20 US disclosed
EP-1686130-A1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents Pfizer Products Incorporated (US) 2006-08-02 EP disclosed
EP-1294724-B1 PYRROLO¬2,3-D|PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PROD INC (US) 2006-04-19 EP disclosed
US-6962993-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2005-11-08 US disclosed
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2005-09-08 US disclosed
US-6696567-B2 INHIBITION OF PROTEIN KINASES OR JANUS KINASE 3; TREATING OR PREVENTING ORGAN TRANSPLANT REJECTION, XENO TRANSPLATION, LUPUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, PSORIASIS, TYPE I DIABETES OR VARIOUS DISEASE COMPLICATIONS PFIZER INC. 2004-02-24 US disclosed
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 US disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 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 (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-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 PIM1 91/4885FLT3 134/4885PIM3 97/4885
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds CDK2, CDK3, JAK3 PIM1 136/4885FLT3 50/4885PIM3 66/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 PIM1 91/4885FLT3 134/4885PIM3 97/4885
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds CDK2, CDK3, JAK3 PIM1 136/4885FLT3 50/4885PIM3 66/4885

“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.