SCHEMBL30299580

SCHEMBL30299580

CC(=O)NC1(c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
TACR3 P29371 7/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14252696 0.87 CYP2C19 (0.60) CYP2C19HTTPOLBTACR3ALDH1A1
SCHEMBL8354032 0.83 POLB (0.48) CYP2C19HTTPOLBHDAC3HDAC1
SCHEMBL10157141 0.82 HTT (0.43) CYP2C19HTTHDAC3HDAC1HDAC2
SCHEMBL21162019 0.81 POLB (0.47) CYP2C19HTTPOLBALDH1A1KDM4E
SCHEMBL1697725 0.81 CYP1A2 (0.47) CYP2C19HTTPOLBHDAC3HDAC1
SCHEMBL5988502 0.81 POLB (0.47) CYP2C19HTTPOLBALDH1A1KDM4E
SCHEMBL5987740 0.81 POLB (0.65) HTTPOLBHDAC3HDAC1HDAC2
SCHEMBL23112572 0.80 CYP2C19 (0.54) CYP2C19HTTPOLBTACR3ALDH1A1
SCHEMBL5988385 0.79 POLB (0.44) CYP2C19HTTPOLBALDH1A1KDM4E
SCHEMBL28540955 0.79 BCL2L1 (0.44) CYP2C19HTTHDAC3HDAC1HDAC2

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-20240383863-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE INSTITUTE FOR BASIC SCIENCE (KR) 2024-11-21 US disclosed
WO-2023043292-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE 기초과학연구원 2023-03-23 WO 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 (1 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-20240383863-A1 PREPARATION METHOD FOR PYRIMIDINE-2-AMINE NUDT1, UMPS, DPYD CYP2C19 1453/4885HTT 3577/4885POLB 129/4885

“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.