SCHEMBL7751825

SCHEMBL7751825

CC(C)(C)CCCNC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PAOX Q6QHF9 2/20 0.36
CASP2 P42575 1/20 0.35
TSHR P16473 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NAAA Q02083 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL24784262 0.94 MEN1 (0.45) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL12927099 0.87 SIGMAR1 (0.49) MEN1KMT2ASIGMAR1CA1CA2
SCHEMBL7753177 0.84 CASP2 (0.41) MEN1KMT2ASIGMAR1PAOXCASP2
SCHEMBL13374398 0.81 TSHR (0.48) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13374400 0.81 MEN1 (0.43) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL7750774 0.81 MEN1 (0.67) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13374399 0.81 CASP2 (0.45) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL19220438 0.81 MEN1 (0.43) MEN1KMT2ASIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL16853212 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL12660515 0.79 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2PAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A MEN1 2256/4885KMT2A 2686/4885SIGMAR1 1508/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 MEN1 3205/4885KMT2A 1854/4885SIGMAR1 1291/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MEN1 1223/4885KMT2A 2532/4885SIGMAR1 479/4885

“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.