SCHEMBL3304826

SCHEMBL3304826

Nc1nc2ccnc(-c3ccccc3F)n2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 4/20 0.43
▸ GRM4 Q14833 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ MPL P40238 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ DCTPP1 Q9H773 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35

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
SCHEMBL3306356 0.78 NUDT1 (0.57) NUDT1KDM4EALDH1A1ADORA2AEGLN2
SCHEMBL3305287 0.76 KDM4E (0.60) NUDT1GRM4KDM4EALDH1A1EGLN2
SCHEMBL2256835 0.76 POLB (0.42) NUDT1GRM4KDM4EALDH1A1EGLN2
SCHEMBL13504386 0.76 NUDT1 (0.62) NUDT1KDM4EALDH1A1ADORA2AMPL
SCHEMBL10855879 0.72 NUDT1 (0.42) NUDT1GRM4KDM4EALDH1A1PDE10A
SCHEMBL10852850 0.72 EGLN2 (0.38) NUDT1KDM4EALDH1A1ADORA2AEGLN2
SCHEMBL10594663 0.72 NUDT1 (0.41) NUDT1KDM4EALDH1A1ADORA2AEGLN2
SCHEMBL3304584 0.71 NUDT1 (0.44) NUDT1KDM4EALDH1A1EGLN2
SCHEMBL10594458 0.71 KDM4E (0.58) NUDT1KDM4EALDH1A1CDC7
SCHEMBL10594383 0.71 NUDT1 (0.48) NUDT1KDM4EALDH1A1ADORA2AEGLN2

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-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 — — US disclosed
US-4579848-A ANTIASTHMA AGENTS AMERICAN CYANAMID COMPANY (US) 1986-04-01 — — 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-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 NUDT1 1120/4885GRM4 2998/4885KDM4E 1965/4885

“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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