SCHEMBL3530758

SCHEMBL3530758

COCCNC1CCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.47
EPHX2 P34913 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAD52 P43351 1/20 0.40

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
SCHEMBL2774793 1.00 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3536193 1.00 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6533951 1.00 KDM4E (0.53) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL5482641 0.98 KDM4E (0.55) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL13451331 0.93
SCHEMBL4761390 0.88
SCHEMBL18677293 0.88 SMN1; SMN2 (0.48) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL1461782 0.86
SCHEMBL6645421 0.85 LMNA (0.51) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL14116863 0.84 KDM4E (0.54) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19

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 7 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-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-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 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

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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 KDM4E 1999/4885ALDH1A1 1541/4885CYP1A2 1601/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 KDM4E 1567/4885ALDH1A1 1831/4885CYP1A2 1602/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 KDM4E 1999/4885ALDH1A1 1541/4885CYP1A2 1601/4885

“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.