SCHEMBL3231656

SCHEMBL3231656

c1ccc(/N=C2\N/C(=N/c3ccccc3)CCC2c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PDGFRA P16234 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL3231662 1.00 DDB1 (0.42) DDB1CRBNATML3MBTL1PDGFRA
SCHEMBL3224073 0.69 ATM (0.48) ATML3MBTL1KMT2AMEN1CYP1A2
SCHEMBL3224077 0.69 ATM (0.48) ATML3MBTL1KMT2AMEN1CYP1A2
SCHEMBL20042575 0.66 NPC1 (0.48) ATML3MBTL1KMT2AMEN1CYP1A2
SCHEMBL31704110 0.60 CRBN (1.00) DDB1CRBN
SCHEMBL2107934 0.60 CRBN (1.00) DDB1CRBN
SCHEMBL31704153 0.60 CRBN (1.00) DDB1CRBN
SCHEMBL3053841 0.59 DDB1 (0.65) DDB1CRBNPDGFRAPRKACAKDR
SCHEMBL13210441 0.59 DDB1 (0.57) DDB1CRBNL3MBTL1PDGFRAPRKACA
SCHEMBL10640168 0.59 DDB1 (0.47) DDB1CRBNPDGFRAPRKACAKDR

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-8084569-B2 Process for the synthesis of diaminopyridines from glutarimidines E.I. DUPONT DE NEMOURS AND COMPANY (US) 2011-12-27 — — US disclosed
US-20100056749-A1 PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARIMIDINES E. I. DU PONT DE NEMOURS AND COMPANY 2010-03-04 — — 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-20100056749-A1 PROCESS FOR THE SYNTHESIS OF DIAMINOPYRIDINES FROM GLUTARIMIDINES DPYD, GCDH, OGDH DDB1 326/4885CRBN 3091/4885ATM 2169/4885

“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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