SCHEMBL22623929

SCHEMBL22623929

CCCCCCCc1nccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 4/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
STAT3 P40763 1/20 0.35
ATM Q13315 1/20 0.35
PTGS2 P35354 3/20 0.34
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL14776060 0.98 L3MBTL1 (0.40) TDP1L3MBTL1KCNH2ALDH1A1TSHR
SCHEMBL27818098 0.85 TDP1 (0.45) TDP1L3MBTL1KCNH2ALDH1A1TSHR
SCHEMBL5114086 0.83 PDE3B (0.37)
SCHEMBL1074604 0.83 TDP1 (0.47) TDP1L3MBTL1KCNH2ALDH1A1KDM4E
SCHEMBL10496018 0.78 TDP1 (0.40) TDP1L3MBTL1KCNH2ALDH1A1KDM4E
SCHEMBL29791423 0.76 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ERAB9A
SCHEMBL28673468 0.76 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ERAB9A
SCHEMBL11119746 0.76 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ERAB9A
SCHEMBL29908366 0.76 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ERAB9A
SCHEMBL259075 0.76 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM4ERAB9A

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TDP1 534/4885L3MBTL1 3874/4885KCNH2 1935/4885

“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.