SCHEMBL3534019

SCHEMBL3534019

CCC(C)CNc1ncnc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 8/20 0.49
TTBK2 Q6IQ55 8/20 0.49
HDAC6 Q9UBN7 1/20 0.45
HPGDS O60760 1/20 0.44

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
SCHEMBL7090337 0.92 TTBK1 (0.43) TTBK1TTBK2HDAC6
SCHEMBL1819928 0.86 TTBK1 (0.52) TTBK1TTBK2HDAC6HPGDS
SCHEMBL18117027 0.85 TTBK1 (0.46) TTBK1TTBK2HDAC6HPGDS
SCHEMBL16266363 0.78 TTBK1 (0.61) TTBK1TTBK2HDAC6
SCHEMBL7589835 0.78 TTBK1 (0.57) TTBK1TTBK2
SCHEMBL25069022 0.77 TTBK1 (0.56) TTBK1TTBK2HDAC6HPGDS
SCHEMBL3533626 0.76 JAK3 (0.58) TTBK1TTBK2HPGDS
SCHEMBL5569031 0.75 UTS2R (0.39)
SCHEMBL22909512 0.75 TTBK1 (0.57) TTBK1TTBK2HDAC6HPGDS
SCHEMBL8469366 0.75 S1PR2 (0.57) TTBK1TTBK2HDAC6

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 6 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-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 (2 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 242/4885HDAC6 2194/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 TTBK1 114/4885TTBK2 184/4885HDAC6 2253/4885

“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.