SCHEMBL20515541

SCHEMBL20515541

C=CCN(N)c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6395273 0.78 CYP2D6 (0.41) MAPTKDM4EPOLBTDP1
SCHEMBL9302381 0.78 CYP2D6 (0.41) MAPTKDM4EPOLBTDP1
SCHEMBL3261534 0.76 CRHR1 (0.36) MAPTKDM4EPOLBTDP1
SCHEMBL14415503 0.73 CDK1 (0.37) MAPTKDM4EPOLBTDP1
SCHEMBL6678698 0.71 CASP1 (0.30)
SCHEMBL8761216 0.70 MAPT (0.33) MAPTKDM4EPOLBTDP1
SCHEMBL10758076 0.69 GOT1 (0.33)
SCHEMBL21949697 0.69 HSP90AA1 (0.35) HSP90AA1
SCHEMBL8015667 0.68 MAPT (0.44) MAPTKDM4E
SCHEMBL10389920 0.68 ALDH1A1 (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110505874-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2023-09-26 CN disclosed
US-10638756-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-05-05 US disclosed
US-10638756-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-05-05 US disclosed
CN-110505874-A Molecule and relative intermediate, composition and method with desinsection effectiveness DOW AGROSCIENCES LLC 2019-11-26 CN disclosed
US-20180279612-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-10-04 US disclosed
WO-2018183601-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-10-04 WO 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-20180279612-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD MAPT 3431/4885HSP90AA1 918/4885KDM4E 1609/4885
US-10638756-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD MAPT 3431/4885HSP90AA1 918/4885KDM4E 1609/4885

“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.