SCHEMBL19592437

SCHEMBL19592437

CC1CC(N[C@@H](C)c2ccccc2)CC[C@H]1C

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ATM Q13315 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX1 P07099 2/20 0.40
LMNA P02545 1/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
RECQL P46063 1/20 0.40
KDM1A O60341 1/20 0.38
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2D6 P10635 1/20 0.36
GRM7 Q14831 2/20 0.36
NPY1R P25929 1/20 0.35

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
SCHEMBL16944003 0.86 GAA (0.57) GAAL3MBTL1ATMMEN1POLB
SCHEMBL16944004 0.86 GAA (0.57) GAAL3MBTL1ATMMEN1POLB
SCHEMBL27818229 0.84 GAA (0.85) GAAL3MBTL1ATMMEN1POLB
SCHEMBL664938 0.84 GAA (0.85) GAAL3MBTL1ATMMEN1POLB
SCHEMBL7751819 0.81 GAA (0.73) GAAL3MBTL1ATMMEN1POLB
SCHEMBL3668041 0.77 GAA (1.00) GAAL3MBTL1ATMMEN1POLB
SCHEMBL2227222 0.76 GAA (0.57) GAAL3MBTL1ATMMEN1POLB
SCHEMBL21919785 0.76 GAA (0.71) GAAL3MBTL1ATMMEN1POLB
SCHEMBL3665477 0.76 GAA (0.71) GAAL3MBTL1ATMMEN1POLB
SCHEMBL3671016 0.75 GAA (0.96) GAAL3MBTL1ATMMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226461-B2 Solid forms of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide, compositions thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2019-03-12 US disclosed
US-20180028534-A1 SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE SIGNAL PHARM LLC (US) 2018-02-01 US disclosed
US-9814713-B2 Solid forms of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide, compositions thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2017-11-14 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 (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-10226461-B2 Solid forms of 2-(tert-butylamino)-4-((1R,3R,4R)-3-hydroxy-4-methylcyclohexylamino)-pyrimidine-5-carboxamide, compositions thereof and methods of their use TERT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT GAA 2836/4885L3MBTL1 4101/4885ATM 1993/4885
US-20180028534-A1 SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE TERT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPMT GAA 2836/4885L3MBTL1 4101/4885ATM 1993/4885

“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.