SCHEMBL3533458

SCHEMBL3533458

c1ccc2c(c1)CCC2CNc1ncnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
TTBK1 Q5TCY1 4/20 0.45
TTBK2 Q6IQ55 4/20 0.45
JAK2 O60674 4/20 0.42
JAK1 P23458 4/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
JAK3 P52333 4/20 0.40
TYK2 P29597 3/20 0.40
BTK Q06187 2/20 0.40
BMX P51813 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
SCHEMBL7848307 0.92 PDPK1 (0.48) HPGDSTTBK1TTBK2JAK2JAK1
SCHEMBL3535943 0.84 TTBK1 (0.49) HPGDSTTBK1TTBK2JAK2JAK1
SCHEMBL193515 0.79 AURKA (0.57) HPGDSTTBK1TTBK2JAK2JAK1
SCHEMBL6746641 0.79 AURKA (0.57) HPGDSTTBK1TTBK2JAK2JAK1
SCHEMBL12561873 0.76 JAK2 (0.61) HPGDSTTBK1TTBK2JAK2JAK1
SCHEMBL8930214 0.75 AURKA (0.59) HPGDSTTBK1TTBK2IRAK4BTK
SCHEMBL3534101 0.74 JAK1 (0.66) HPGDSTTBK1TTBK2JAK2JAK1
SCHEMBL3534327 0.74 JAK2 (0.70) HPGDSTTBK1TTBK2JAK2JAK1
Hydrochloric Acid SCHEMBL8929656 0.74 AURKA (0.58) HPGDSTTBK1TTBK2IRAK4BTK
SCHEMBL3535218 0.73 JAK1 (0.68) HPGDSTTBK1TTBK2JAK2JAK1

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 HPGDS 785/4885TTBK1 126/4885TTBK2 242/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 HPGDS 649/4885TTBK1 114/4885TTBK2 184/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 HPGDS 785/4885TTBK1 126/4885TTBK2 242/4885

“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.