SCHEMBL6470823

SCHEMBL6470823

Nc1ncc(Oc2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.52
ADORA2A P29274 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TTBK1 Q5TCY1 2/20 0.46
TTBK2 Q6IQ55 1/20 0.46
CDK7 P50613 1/20 0.46
CDK6 Q00534 1/20 0.46
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
ADORA1 P30542 1/20 0.46
PPP1CA P62136 1/20 0.45
KMT2A Q03164 1/20 0.45
TEAD1 P28347 1/20 0.45

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
SCHEMBL6470759 0.84 CYP3A4 (0.49) CDK8L3MBTL1ALDH1A1POLBMAPT
SCHEMBL9798371 0.82 LTA4H (0.54) ADORA2AL3MBTL1ALDH1A1POLBMAPT
SCHEMBL6470820 0.81 CDK8 (0.53) CDK8L3MBTL1ALDH1A1POLBMAPT
SCHEMBL23217081 0.80 SCN9A (0.49) CDK8L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL6153537 0.80 TSHR (0.68) ADORA2AL3MBTL1ALDH1A1POLBMAPT
SCHEMBL30539120 0.80 TSHR (0.68) ADORA2AL3MBTL1ALDH1A1POLBMAPT
SCHEMBL22534762 0.79 L3MBTL1 (0.50) CDK8ADORA2AL3MBTL1ALDH1A1POLB
SCHEMBL27579381 0.79 LTA4H (0.59) ADORA2AL3MBTL1ALDH1A1POLBMAPT
SCHEMBL30341595 0.78 CDK8 (0.50) CDK8L3MBTL1ALDH1A1POLBTTBK1
SCHEMBL16539369 0.78 CDK8 (0.50) CDK8L3MBTL1ALDH1A1POLBTTBK1

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA CDK8 4238/4885ADORA2A 173/4885L3MBTL1 391/4885

“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.