SCHEMBL5022949

SCHEMBL5022949

O=C(CNc1ccccc1)Nc1ncc2c[nH]nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ CCNE1 P24864 4/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CDK3 Q00526 3/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CCNE2 O96020 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ NOTUM Q6P988 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
SCHEMBL5013515 0.81 CCNE1 (0.50) ADORA3ADORA1KMT2ALMNAMEN1
SCHEMBL28340206 0.78 MAP3K5 (0.51) ADORA3ADORA1KMT2ALMNAMEN1
SCHEMBL3415679 0.76 CDK2 (0.55) MAPTRAB9ACCNE1CDK2GAA
SCHEMBL3646903 0.74 CCNE2 (0.37) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL1561387 0.68 MAPT (0.70) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL83895 0.68 MEN1 (0.42) KMT2AMEN1ALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL11858514 0.67 MAPT (0.68) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL2318554 0.64 L3MBTL1 (0.58) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL9684104 0.64 HDAC1 (0.49) ADORA3KMT2ALMNAMEN1ALDH1A1
SCHEMBL5022941 0.63 SCN9A (0.36) KMT2AMEN1MAPTCCNE1CDK2

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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2008-09-25 — — 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-20080234262-A1 PYRAZOLOPYRIMIDINE ANALOGS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS MTOR, PIK3CA, PDPK1 ADORA3 2564/4885ADORA1 3302/4885KMT2A 3504/4885

“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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