SCHEMBL7745276

SCHEMBL7745276

CC(C)(C)N[C@H](CO)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
CYP3A4 P08684 1/20 0.53
TRPA1 O75762 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
EPHX1 P07099 1/20 0.43
ATM Q13315 1/20 0.41
ROCK2 O75116 1/20 0.41
RPS6KA5 O75582 1/20 0.41
RPS6KA4 O75676 1/20 0.41
PRKACA P17612 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
IRAK1 P51617 1/20 0.41
PRKX P51817 1/20 0.41
ROCK1 Q13464 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN2 Q16513 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
SCHEMBL8254401 1.00 MAPK1 (0.53) MAPK1CYP3A4TRPA1MEN1KMT2A
SCHEMBL10245188 1.00 MAPK1 (0.53) MAPK1CYP3A4TRPA1MEN1KMT2A
SCHEMBL12219641 0.83 SIGMAR1 (0.44) TRPA1EPHX1TAAR1SIGMAR1SLC18A2
SCHEMBL7745210 0.82 MME (0.44) MEN1KMT2AMAPTROCK2PRKACA
SCHEMBL1704898 0.81 CPA1 (0.50) MAPK1CYP3A4MEN1KMT2AMAPT
SCHEMBL2295761 0.81 CPA1 (0.50) MAPK1CYP3A4MEN1KMT2AMAPT
SCHEMBL7696707 0.80 PNMT (0.50) TAAR1ALDH1A1CYP2C19
SCHEMBL7693446 0.80 PNMT (0.50) TAAR1ALDH1A1CYP2C19
SCHEMBL7692070 0.80 PNMT (0.50) TAAR1ALDH1A1CYP2C19
SCHEMBL5794635 0.80 MAPK1 (0.47) MAPK1CYP3A4TRPA1MEN1KMT2A

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
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 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-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 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 (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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A MAPK1 3078/4885CYP3A4 1391/4885TRPA1 2014/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 MAPK1 3484/4885CYP3A4 1480/4885TRPA1 3133/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MAPK1 2298/4885CYP3A4 2006/4885TRPA1 938/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 MAPK1 2104/4885CYP3A4 1107/4885TRPA1 4582/4885

“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.