SCHEMBL3535218

SCHEMBL3535218

c1nc(NCC2CCCCCCC2)c2cc[nH]c2n1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.68
JAK2 O60674 4/20 0.68
HPGDS O60760 1/20 0.61
JAK3 P52333 9/20 0.51
TTBK1 Q5TCY1 2/20 0.48
TTBK2 Q6IQ55 2/20 0.48
IRAK4 Q9NWZ3 1/20 0.47

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
SCHEMBL3542175 1.00 JAK1 (0.68) JAK1JAK2HPGDSJAK3TTBK1
SCHEMBL3533456 1.00 JAK1 (0.68) JAK1JAK2HPGDSJAK3TTBK1
SCHEMBL3542480 1.00 JAK1 (0.68) JAK1JAK2HPGDSJAK3TTBK1
SCHEMBL3541752 1.00 JAK1 (0.68) JAK1JAK2HPGDSJAK3TTBK1
SCHEMBL3534327 0.99 JAK2 (0.70) JAK1JAK2HPGDSJAK3TTBK1
SCHEMBL3534101 0.96 JAK1 (0.66) JAK1JAK2HPGDSJAK3TTBK1
SCHEMBL12561873 0.93 JAK2 (0.61) JAK1JAK2HPGDSTTBK1TTBK2
SCHEMBL7853326 0.91 JAK1 (0.62) JAK1JAK2HPGDSJAK3IRAK4
SCHEMBL7850265 0.91 JAK1 (0.62) JAK1JAK2HPGDSJAK3IRAK4
SCHEMBL7843489 0.90 JAK1 (0.63) JAK1JAK2HPGDSJAK3IRAK4

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 JAK1 1/4885JAK2 3/4885HPGDS 785/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 JAK1 2/4885JAK2 3/4885HPGDS 649/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885HPGDS 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.