SCHEMBL23349372

SCHEMBL23349372

CCc1cn2c(n1)CCCCCCC2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ TPH1 P17752 6/20 0.41
▸ TPH2 Q8IWU9 6/20 0.41
▸ TP53 P04637 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ WDR5 P61964 4/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ HTT P42858 3/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL25061139 1.00 LMNA (0.46) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL25060981 1.00 LMNA (0.46) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL8188906 0.98 LMNA (0.47) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL13455831 0.93 WDR5 (0.46) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL8883226 0.80 LMNA (0.46) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL871216 0.80 ALDH1A1 (0.44) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL22920064 0.80 ALDH1A1 (0.44) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL21946945 0.79 LMNA (0.44) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL25060996 0.79 WDR5 (0.44) LMNAALDH1A1TPH1TPH2TP53
SCHEMBL2608601 0.77 ALDH1A1 (0.42) LMNAALDH1A1TPH1TPH2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES RECURIUM IP HOLDINGS, LLC 2021-05-13 — — 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-20210139482-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRAZOLO[3,4-D]PYRIMIDIN-3-ONES MKI67, BRCA1, CCNI LMNA 4209/4885ALDH1A1 127/4885TPH1 1258/4885

“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.

Send feedback