SCHEMBL9895989

SCHEMBL9895989

COCCN(C)Cc1cnc(N)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
MAP4K4 O95819 1/20 0.37
GRM2 Q14416 1/20 0.36
CYBB P04839 1/20 0.35
NCF1 P14598 1/20 0.35
BRAF P15056 1/20 0.33
ALOX5AP P20292 3/20 0.33
FEN1 P39748 3/20 0.33
LTA4H P09960 1/20 0.33
FGFR1 P11362 1/20 0.32
PDE1B Q01064 1/20 0.32
CNR1 P21554 2/20 0.32
KCNH2 Q12809 2/20 0.32
TSHR P16473 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL17403598 0.79 MAP4K4 (0.39) PIK3CDMAP4K4GRM2CYBBNCF1
SCHEMBL5042295 0.79 NOS3 (0.33) ALOX5APFEN1
SCHEMBL2789944 0.77 ADK (0.40) PIK3CDALOX5APPDPK1
SCHEMBL16679299 0.75 MEN1 (0.36) NCF1ALOX5APFEN1
SCHEMBL17409825 0.74 CXCR4 (0.36) PIK3CDMAP4K4GRM2BRAFPDE1B
SCHEMBL15986728 0.72 ALDH1A1 (0.46) GRM2BRAFLTA4HPDE1BTSHR
SCHEMBL31035839 0.71 LMNA (0.40) PIK3CDALOX5APFEN1KCNH2
SCHEMBL9897861 0.71 LMNA (0.40) PIK3CDALOX5APFEN1KCNH2
SCHEMBL31035783 0.71 ALDH1A1 (0.46) TSHR
SCHEMBL17403540 0.71 KDM4E (0.36) PIK3CDMAP4K4GRM2BRAFLTA4H

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-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 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-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 PIK3CD 2113/4885MAP4K4 3109/4885GRM2 446/4885

“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.