SCHEMBL17357987

SCHEMBL17357987

O=c1c2c(n(Cc3ccc(Cl)nc3)c3ncnn13)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PKM P14618 1/20 0.43
▸ PDE1B Q01064 5/20 0.41
▸ HTT P42858 2/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PDE5A O76074 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PDE6C P51160 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PDE11A Q9HCR9 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NR2F2 P24468 1/20 0.36

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
SCHEMBL17357817 0.78 LMNA (0.41) PDE1BGAAMAPTLMNAMEN1
SCHEMBL17358144 0.76 LMNA (0.40) PDE1BGAAMAPTLMNAMEN1
SCHEMBL17358062 0.75 LMNA (0.37) RXFP1HTTMAPTLMNANR2F2
SCHEMBL17358063 0.75 LMNA (0.37) HTTMAPTLMNANR2F2SMN1; SMN2
SCHEMBL17358146 0.74 LMNA (0.38) PDE1BGAAMAPTLMNAMEN1
SCHEMBL17359642 0.74 LMNA (0.38) PDE1BGAAMAPTLMNAMEN1
SCHEMBL17358068 0.74 PTGS1 (0.41) HTTMAPTLMNANR2F2SMN1; SMN2
SCHEMBL17358069 0.73 LMNA (0.35) HTTMAPTLMNANR2F2SMN1; SMN2
SCHEMBL17357820 0.73 HTT (0.49) PDE1BHTTGAAMAPTLMNA
SCHEMBL17358010 0.73 DCTPP1 (0.52) RXFP1PDE1BGAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963451-B2 Fused ring pyrimidine compound and pest control agent containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-08 — — US disclosed
US-9963451-B2 Fused ring pyrimidine compound and pest control agent containing the same MITSUI CHEMICALS AGRO, INC. (JP) 2018-05-08 — — US disclosed
US-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2015-12-24 — — US disclosed
US-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2015-12-24 — — 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 (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-20150368249-A1 FUSED RING PYRIMIDINE COMPOUND AND PEST CONTROL AGENT CONTAINING THE SAME CBR3, HRH2, HRH4 RXFP1 550/4885PKM 2324/4885PDE1B 2278/4885

“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.

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