SCHEMBL18869729

SCHEMBL18869729

CNc1ccnnc1NC

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
AOC1 P19801 2/20 0.31
AOC3 Q16853 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CDC42BPA Q5VT25 1/20 0.30
CDC42BPB Q9Y5S2 1/20 0.30

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
SCHEMBL11826081 0.85 GOT1 (0.38) KDM4EAOC1AOC3
Hydrochloric Acid SCHEMBL11824418 0.83 GOT1 (0.38) KDM4EAOC1AOC3
SCHEMBL27812273 0.76
SCHEMBL18879032 0.74
SCHEMBL27791288 0.74
SCHEMBL28954619 0.74
SCHEMBL24782376 0.71
SCHEMBL20829977 0.70 ACVR2A (0.33)
SCHEMBL19250307 0.70 RRM2 (0.30)
SCHEMBL25778896 0.69 ACVR2A (0.34)

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-20170137468-A1 MODULATION OF COMPLEMENT ACTIVITY UCB HOLDINGS, INC. 2017-05-18 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-20170137468-A1 MODULATION OF COMPLEMENT ACTIVITY C5, C3AR1, CFH POLB 4111/4885KDM4E 3632/4885ATM 3854/4885

“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.