SCHEMBL20328541

SCHEMBL20328541

Cc1ncc2cc(C(=O)Nc3nnnn3C)c(C)c(-c3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
NTRK1 P04629 7/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMEL1 Q495T6 1/20 0.35
HPGD P15428 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DHFR P00374 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL20328550 0.88 POLB (0.44) POLBNTRK1LMNA
SCHEMBL18309316 0.88 POLB (0.44) POLBNTRK1MAPTLMNAMMEL1
SCHEMBL18309314 0.79 POLB (0.44) POLBNTRK1LMNAMMEL1DHFR
SCHEMBL18309295 0.77 POLB (0.52) POLBNTRK1MAPTKDM4ELMNA
SCHEMBL17596122 0.76 POLB (0.43) POLBMAPTKDM4ELMNATDP1
SCHEMBL20328545 0.75 AXL (0.43) NTRK1MAPTKDM4ELMNATDP1
SCHEMBL17596175 0.75 POLB (0.42) POLBCYP2C9
SCHEMBL17596503 0.74 POLB (0.54) POLBMAPTKDM4ELMNATDP1
SCHEMBL17596180 0.74 POLB (0.47) POLBMAPTKDM4ELMNATDP1
SCHEMBL17596563 0.73 POLB (0.47) POLBMAPTKDM4ELMNATDP1

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-20180177190-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-28 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-20180177190-A1 HERBICIDAL COMPOUNDS DDT, CYP1B1, ATP1B1 POLB 2953/4885NTRK1 4529/4885MAPT 3494/4885

“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.