SCHEMBL16624809

SCHEMBL16624809

CC[C@@H](C)c1c(O)ncnc1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RORC P51449 1/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL19294662 0.86 TSHR (0.33) TSHR
SCHEMBL25209479 0.75 FFAR1 (0.38) TSHRALDH1A1HPGDLMNAMAPT
SCHEMBL12228322 0.74 TSHR (0.31) TSHR
SCHEMBL19294654 0.74 TSHR (0.31) TSHR
SCHEMBL16624814 0.73 SELE (0.35) TSHRALDH1A1LMNA
SCHEMBL24227162 0.73 SELE (0.35) TSHRALDH1A1LMNA
SCHEMBL19294656 0.73 ADORA3 (0.33) TSHR
SCHEMBL15391259 0.71 MAPT (0.35) TSHRALDH1A1HSD17B10LMNAMAPT
SCHEMBL4201468 0.71 MAPT (0.34) TSHRALDH1A1LMNAMAPT
SCHEMBL12495747 0.71 HRH4 (0.37) TSHRALDH1A1GAAHPGDUSP2

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-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2017-08-31 US disclosed
US-9309204-B2 Process for making hydroxylated cyclopentylpyrimidine compounds ARRAY BIOPHARMA INC. (US) 2016-04-12 US disclosed
US-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS GENETECH, INC. (US) 2015-04-09 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-20150099881-A1 PROCESS FOR MAKING HYDROXYLATED CYCLOPENTYLPYRIMIDINE COMPOUNDS PIK3CA, DHPS, PIK3CD TSHR 3644/4885ALDH1A1 768/4885GAA 2558/4885
US-20170247338-A1 PROCESS FOR PREPARING (CYCLOPENTYL[d]PYRIMIDIN-4-YL)PIPERAZINE COMPOUNDS PAK5, CDK5, PPIP5K2 TSHR 2578/4885ALDH1A1 2185/4885GAA 3393/4885

“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.