SCHEMBL20665083

SCHEMBL20665083

CCCCCCn1ccc2ncccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.53
MET P08581 1/20 0.48
TLR8 Q9NR97 4/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
SLC9A1 P19634 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
RPS6KA5 O75582 1/20 0.44
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL562206 0.98 P2RX7 (0.54) P2RX7METTLR8CDK4CCND1
SCHEMBL4870962 0.81 P2RX7 (0.52) P2RX7METCDK4CCND1LMNA
SCHEMBL12640059 0.80 RPS6KA5 (0.52) P2RX7METRPS6KA5
SCHEMBL10824919 0.79 HTT (0.54) TLR8CDK4CCND1LMNASMN1; SMN2
SCHEMBL3868979 0.78 TDP1 (0.68) P2RX7SLC9A1LMNASMN1; SMN2HTT
SCHEMBL6321085 0.78 TDP1 (0.68) P2RX7SLC9A1LMNASMN1; SMN2HTT
SCHEMBL9853336 0.78 TDP1 (0.68) P2RX7SLC9A1LMNASMN1; SMN2HTT
SCHEMBL9038701 0.78 TDP1 (0.68) P2RX7SLC9A1LMNASMN1; SMN2HTT
SCHEMBL9038339 0.78 TDP1 (0.68) P2RX7SLC9A1LMNASMN1; SMN2HTT
SCHEMBL4888041 0.78 TDP1 (0.68) P2RX7SLC9A1LMNASMN1; SMN2HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10375962-B2 Heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-13 US disclosed
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-01-24 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 (2 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-10375962-B2 Heterocycle derivatives as pesticides DDT, ACHE, CBR1 P2RX7 669/4885MET 3939/4885TLR8 4821/4885
US-20190021329-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, ACHE, CBR1 P2RX7 669/4885MET 3939/4885TLR8 4821/4885

“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.