SCHEMBL4068075

SCHEMBL4068075

COc1ccc(CN2CCC(C)C(CNc3ncnc4[nH]ccc34)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 10/20 0.49
JAK3 P52333 10/20 0.49
JAK2 O60674 7/20 0.49
TYK2 P29597 6/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TTBK1 Q5TCY1 2/20 0.46
TTBK2 Q6IQ55 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
BTK Q06187 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL4073742 0.90 JAK1 (0.53) JAK1JAK3JAK2TYK2TTBK1
SCHEMBL4072654 0.89 JAK3 (0.51) JAK1JAK3JAK2TYK2MEN1
SCHEMBL1120768 0.89 JAK2 (0.62) JAK1JAK3JAK2TYK2CYP1A2
SCHEMBL1376865 0.89 JAK2 (0.62) JAK1JAK3JAK2TYK2CYP1A2
SCHEMBL4072912 0.86 BTK (0.51) JAK1JAK3JAK2TYK2TTBK1
SCHEMBL5338094 0.86 JAK3 (0.50) JAK1JAK3JAK2TYK2CYP1A2
SCHEMBL4070635 0.85 JAK3 (0.48) JAK1JAK3JAK2TYK2CYP2D6
SCHEMBL4073198 0.84 JAK3 (0.48) JAK1JAK3JAK2TYK2MEN1
SCHEMBL4064021 0.84 JAK1 (0.52) JAK1JAK3JAK2TYK2TTBK1
SCHEMBL5374915 0.82 JAK3 (0.45) JAK1JAK3JAK2TYK2CYP2D6

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1686130-B1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents PFIZER PROD INC (US) 2009-02-18 EP disclosed
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2007-07-12 US disclosed
US-7192963-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC (US) 2007-03-20 US disclosed
EP-1686130-A1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents Pfizer Products Incorporated (US) 2006-08-02 EP disclosed
EP-1294724-B1 PYRROLO¬2,3-D|PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PROD INC (US) 2006-04-19 EP disclosed
US-6962993-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2005-11-08 US disclosed
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2005-09-08 US disclosed
US-6696567-B2 INHIBITION OF PROTEIN KINASES OR JANUS KINASE 3; TREATING OR PREVENTING ORGAN TRANSPLANT REJECTION, XENO TRANSPLATION, LUPUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, PSORIASIS, TYPE I DIABETES OR VARIOUS DISEASE COMPLICATIONS PFIZER INC. 2004-02-24 US disclosed
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 US disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 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 (4 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-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK1 1/4885JAK3 3/4885JAK2 6/4885
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds CDK2, CDK3, JAK3 JAK1 5/4885JAK3 3/4885JAK2 4/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 JAK1 1/4885JAK3 3/4885JAK2 6/4885
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds CDK2, CDK3, JAK3 JAK1 5/4885JAK3 3/4885JAK2 4/4885

“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.