SCHEMBL7109626

SCHEMBL7109626

O=C(O)Cc1ccnn1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
NR3C2 P08235 1/20 0.42
TSHR P16473 1/20 0.41
AKR1B1 P15121 1/20 0.41
CYP2C9 P11712 3/20 0.41
NR4A3 Q92570 1/20 0.41
KDM5A P29375 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM5B Q9UGL1 2/20 0.40
KDM2B Q8NHM5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
GLS O94925 1/20 0.39
MAPK1 P28482 1/20 0.39
RIPK2 O43353 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
SCHEMBL14722902 0.83 POLB (0.39) POLBNR3C2CYP2C9NR4A3ALDH1A1
SCHEMBL3072718 0.83 NR3C2 (0.48) NR3C2KDM5AKDM4CKDM5BKDM2B
SCHEMBL1195187 0.83 NPC1 (0.50) POLBNR3C2KDM5AKDM4CKDM5B
SCHEMBL23116885 0.79 POLB (0.52) POLBNR3C2TSHRCYP2C9ALDH1A1
SCHEMBL16815749 0.79 POLB (0.52) POLBNR3C2CYP2C9NR4A3KDM5A
SCHEMBL27158336 0.78 ALDH1A1 (0.43) POLBTSHRAKR1B1ALDH1A1HTT
SCHEMBL2987627 0.76 POLB (0.48) POLBNR3C2CYP2C9KDM5AKDM4C
SCHEMBL1906019 0.76 POLB (0.52) POLBTSHRCYP2C9NR4A3ALDH1A1
SCHEMBL27804634 0.74 KDM5A (0.52) POLBCYP2C9KDM5AKDM4CKDM5B
SCHEMBL1195389 0.73 TSHR (0.56) TSHRKDM5AKDM4CKDM5BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
CN-1044656-A Pyrazolopyridine compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1990-08-15 CN 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 POLB 3693/4885NR3C2 532/4885TSHR 3274/4885

“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.