SCHEMBL3363092

SCHEMBL3363092

C1=N[N]C(c2nccc(-c3ccccc3)n2)=C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ ADORA2A P29274 1/20 0.47
▸ GABRA1 P14867 1/20 0.44
▸ GABRG2 P18507 1/20 0.44
▸ GABRB3 P28472 1/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTK2B Q14289 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL190954 0.76 AURKA (0.63) AURKAHSP90AA1PRKACAADORA2AGABRA1
SCHEMBL29620532 0.76 AURKA (0.63) AURKAHSP90AA1PRKACAADORA2AGABRA1
SCHEMBL29736136 0.74 AURKA (0.61) AURKAHSP90AA1PRKACAADORA2AGABRA1
Ammonia Solution, Strong SCHEMBL20267253 0.74 AURKA (0.61) AURKAHSP90AA1PRKACAADORA2AGABRA1
SCHEMBL18732403 0.72 KMT2A (0.61) AURKAHSP90AA1PRKACAADORA2AGABRA1
SCHEMBL21003801 0.72 KMT2A (0.61) AURKAHSP90AA1PRKACAADORA2AGABRA1
SCHEMBL29730468 0.72 KMT2A (0.61) AURKAHSP90AA1PRKACAADORA2AGABRA1
SCHEMBL18731741 0.72 KMT2A (0.61) AURKAHSP90AA1PRKACAADORA2AGABRA1
Ethylene SCHEMBL28961184 0.72 AURKA (0.59) AURKAHSP90AA1PRKACAADORA2AGABRA1
SCHEMBL18212429 0.71 KMT2A (0.59) AURKAHSP90AA1PRKACAADORA2AGABRA1

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-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS BAYER CROPSCIENCE AG (DE) 2010-06-10 — — 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-20100144672-A1 PYRIMIDINYL PYRAZOLES AS INSECTICIDES AND PARASITICIDE ACTIVE AGENTS PIR, ITPA, DDT AURKA 2902/4885HSP90AA1 2432/4885PRKACA 569/4885

“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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