SCHEMBL3535943

SCHEMBL3535943

Clc1ccc2c(c1)CCC2CNc1ncnc2[nH]ccc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 6/20 0.49
TTBK2 Q6IQ55 5/20 0.49
HPGDS O60760 1/20 0.43
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
GRIN2B Q13224 2/20 0.42
BTK Q06187 5/20 0.41
KDM4C Q9H3R0 1/20 0.40
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL3533458 0.84 HPGDS (0.46) TTBK1TTBK2HPGDSBTKJAK2
SCHEMBL7848307 0.77 PDPK1 (0.48) TTBK1TTBK2HPGDSBTKJAK2
SCHEMBL1906609 0.73 LMNA (0.44) STK4STK3KDM4C
SCHEMBL12561873 0.73 JAK2 (0.61) TTBK1TTBK2HPGDSJAK2JAK1
SCHEMBL3535946 0.72 JAK3 (0.54) JAK2JAK1
SCHEMBL3534101 0.71 JAK1 (0.66) TTBK1TTBK2HPGDSJAK2JAK1
SCHEMBL3534327 0.71 JAK2 (0.70) TTBK1TTBK2HPGDSJAK2JAK1
SCHEMBL3542480 0.70 JAK1 (0.68) TTBK1TTBK2HPGDSJAK2JAK1
SCHEMBL3541752 0.70 JAK1 (0.68) TTBK1TTBK2HPGDSJAK2JAK1
SCHEMBL3535218 0.70 JAK1 (0.68) TTBK1TTBK2HPGDSJAK2JAK1

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 9 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
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

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

“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.