SCHEMBL21082201

SCHEMBL21082201

CC1=CCC(N2C(=O)c3ccccc3C2O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
RAB9A P51151 5/20 0.40
PKM P14618 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.38
EPHX2 P34913 1/20 0.37
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL19539757 0.80 TSHR (0.52) MEN1KMT2AATMRAB9APKM
SCHEMBL10554268 0.76 TSHR (0.56) MEN1KMT2AATMRAB9APKM
SCHEMBL13735946 0.76 L3MBTL1 (0.46) MEN1KMT2AATMRAB9APKM
SCHEMBL23336386 0.76 TSHR (0.49) MEN1KMT2AATMRAB9APKM
SCHEMBL18909735 0.75 L3MBTL1 (0.46) MEN1KMT2AATMRAB9APKM
SCHEMBL24717656 0.75 RAB9A (0.39) MEN1KMT2AATMRAB9APKM
SCHEMBL19662739 0.74 RAB9A (0.45) MEN1KMT2AATMRAB9APKM
SCHEMBL20798796 0.73 MEN1 (0.43) MEN1KMT2AATMRAB9APKM
SCHEMBL19987073 0.73 RAB9A (0.46) MEN1KMT2AATMRAB9APKM
SCHEMBL25765958 0.72 RAB9A (0.43) MEN1KMT2AATMRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10517873-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) 2019-12-31 US disclosed
US-20190167678-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) 2019-06-06 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 (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-20190167678-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 MEN1 1998/4885KMT2A 408/4885ATM 1993/4885
US-10517873-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 MEN1 1998/4885KMT2A 408/4885ATM 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.