SCHEMBL3535971

SCHEMBL3535971

CCC1CCC(CNc2ncnc3[nH]ccc23)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.50
JAK1 P23458 5/20 0.50
HPGDS O60760 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.46
TTBK1 Q5TCY1 3/20 0.44
TTBK2 Q6IQ55 3/20 0.44
TYK2 P29597 2/20 0.43
LCK P06239 1/20 0.43
JAK3 P52333 2/20 0.43

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
SCHEMBL3539656 0.92 JAK2 (0.55) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL12561873 0.88 JAK2 (0.61) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL6287633 0.86 JAK2 (0.49) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL3532731 0.82 JAK1 (0.54) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL3534101 0.82 JAK1 (0.66) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL3534327 0.82 JAK2 (0.70) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL3537761 0.82 JAK2 (0.49) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL3542175 0.81 JAK1 (0.68) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL3542480 0.81 JAK1 (0.68) JAK2JAK1HPGDSIRAK4TTBK1
SCHEMBL3535218 0.81 JAK1 (0.68) JAK2JAK1HPGDSIRAK4TTBK1

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 8 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
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 (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 JAK2 3/4885JAK1 1/4885HPGDS 785/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885HPGDS 649/4885

“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.