SCHEMBL3537589

SCHEMBL3537589

c1ccc(CN2CCC(CNc3ncnc4[nH]ccc34)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
CYP2D6 P10635 1/20 0.63
HIF1A Q16665 1/20 0.63
JAK1 P23458 8/20 0.59
ACHE P22303 5/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 1/20 0.57
JAK2 O60674 6/20 0.52
TYK2 P29597 5/20 0.52
JAK3 P52333 5/20 0.52
CSF1R P07333 1/20 0.49
CXCR4 P61073 1/20 0.49
BCHE P06276 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL27966037 0.86 GRIN2B (0.59) CYP1A2CYP2D6HIF1AJAK1MEN1
SCHEMBL1120768 0.83 JAK2 (0.62) CYP1A2CYP2D6HIF1AJAK1JAK2
SCHEMBL1376865 0.83 JAK2 (0.62) CYP1A2CYP2D6HIF1AJAK1JAK2
SCHEMBL12561873 0.82 JAK2 (0.61) JAK1JAK2CSF1R
SCHEMBL20183411 0.80 JAK1 (0.60) CYP2D6JAK1MEN1JAK2TYK2
SCHEMBL20183409 0.80 JAK1 (0.60) CYP2D6JAK1MEN1JAK2TYK2
SCHEMBL5359231 0.80 GRIN2B (0.63) CYP2D6JAK1JAK2TYK2JAK3
SCHEMBL3534327 0.79 JAK2 (0.70) JAK1JAK2JAK3
SCHEMBL3534101 0.79 JAK1 (0.66) JAK1JAK2JAK3
SCHEMBL3542175 0.78 JAK1 (0.68) JAK1JAK2JAK3

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
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-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 CYP1A2 1602/4885CYP2D6 1867/4885HIF1A 3237/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 CYP1A2 1601/4885CYP2D6 1996/4885HIF1A 3062/4885

“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.