SCHEMBL10074499

SCHEMBL10074499

CCOc1ncnc(N2CCCC2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.44
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HTT P42858 5/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC9A1 P19634 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
JAK3 P52333 2/20 0.37
ALOX15 P16050 1/20 0.37
AKT2 P31751 1/20 0.37

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
SCHEMBL10074502 0.98 ACACB (0.43) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10074500 0.98 ACACB (0.43) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1628329 0.87 ACACB (0.46) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL1629504 0.86 ACACB (0.45) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL10074122 0.86 ACACB (0.45) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL19725055 0.83 ACACB (0.48) ACACBALDH1A1HRH4MEN1KMT2A
SCHEMBL393595 0.82 ACACB (0.36) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL16190524 0.81 ACACB (0.49) ACACBMEN1KMT2A
SCHEMBL83873 0.81 LMNA (0.38) ACACBALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL82724 0.81 LMNA (0.38) ACACBALDH1A1LMNASMN1; SMN2KDM4E

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-8101753-B2 Production method of pyrimidine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-02-14 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 (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-20080039445-A1 PRODUCTION METHOD OF PYRIMIDINE COMPOUNDS DPYD, DHFR, DHODH ACACB 426/4885ALDH1A1 61/4885LMNA 4693/4885

“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.