SCHEMBL4071597

SCHEMBL4071597

CN(C)CCc1csc(C(N)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
AOC3 Q16853 5/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2C P28335 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAOB P27338 1/20 0.33
TP53 P04637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL29528876 0.81 ALDH1A1 (0.43) MEN1KMT2AALDH1A1AOC3GABRA5
SCHEMBL13447331 0.79 IKBKB (0.43) MEN1KMT2AALDH1A1AOC3GABRA5
SCHEMBL13412495 0.79 ALDH1A1 (0.38) MEN1KMT2AALDH1A1AOC3GABRA5
SCHEMBL17977280 0.78 MEN1 (0.37) MEN1KMT2AALDH1A1AOC3GABRA5
SCHEMBL17717276 0.78 KMT2A (0.44) MEN1KMT2AALDH1A1AOC3GABRA5
SCHEMBL29686211 0.76 PLA2G4A (0.44) MEN1KMT2AALDH1A1MAPT
SCHEMBL4911470 0.75 KMT2A (0.39) MEN1KMT2AALDH1A1GABRA5GABRB2
SCHEMBL3512216 0.75 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GABRA5GABRB2
SCHEMBL2745279 0.74 GABRA5 (0.46) MEN1KMT2AALDH1A1GABRA5GABRB2
SCHEMBL5988033 0.74 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1GABRA5GABRB2

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 MEN1 3323/4885KMT2A 1822/4885ALDH1A1 1719/4885
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds CDK2, CDK3, JAK3 MEN1 3400/4885KMT2A 1475/4885ALDH1A1 2505/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 MEN1 3323/4885KMT2A 1822/4885ALDH1A1 1719/4885
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds CDK2, CDK3, JAK3 MEN1 3400/4885KMT2A 1475/4885ALDH1A1 2505/4885

“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.