SCHEMBL6358084

SCHEMBL6358084

c1cnc2c(-c3n[nH]c4nccnc34)n[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ ITK Q08881 1/20 0.33
▸ GRM4 Q14833 4/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.30
▸ YTHDF2 Q9Y5A9 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
SCHEMBL19801401 0.81 GRM4 (0.33) MAPK1GRM4
SCHEMBL14725583 0.78 ITK (0.33) ITKGRM4
SCHEMBL19258970 0.77 YTHDC1 (0.40) MAPK1GRM4YTHDC1YTHDF2
SCHEMBL14906033 0.75 MAPK1 (0.45) MAPK1
SCHEMBL30876173 0.75 MAPK1 (0.35) MAPK1
SCHEMBL30316980 0.75 MAPK1 (0.35) MAPK1GRM4
SCHEMBL14763598 0.75 DYRK1A (0.38) MAPK1
SCHEMBL30180924 0.75 DYRK1A (0.38) MAPK1
SCHEMBL3950985 0.75 PDPK1 (0.38) MAPK1GRM4YTHDC1YTHDF2
SCHEMBL29606019 0.73 MAPK1 (0.33) MAPK1

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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 — — US claimed
US-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds NEUROGEN CORPORATION 2005-03-31 — — 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-20050070542-A1 5-Aryl-pyrazolo[4,3-d]pyrimidines, pyridines, and pyrazines and related compounds CRHR1, HTR5A, HTR1D MAPK1 1598/4885ITK 3225/4885GRM4 163/4885

“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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