SCHEMBL3640566

SCHEMBL3640566

CCCN1Cc2cncnc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ADAM17 P78536 1/20 0.35
▸ GRM1 Q13255 2/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ TOP2A P11388 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31

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
SCHEMBL29620470 0.87 ADAM17 (0.34) ADAM17GRM1GRM5GABRG2GABRB3
SCHEMBL21676756 0.78 CDC25B (0.34) PARP1TSHRGABRG2GABRB3GABRA5
SCHEMBL15164719 0.72 PKN2 (0.42) LMNAPARP1HTTPARP2L3MBTL1
SCHEMBL31060463 0.71 KCNH2 (0.34) GRM1GRM5ALDH1A1GABRG2GABRB3
SCHEMBL3640565 0.71 KCNH2 (0.34) GRM1GRM5ALDH1A1GABRG2GABRB3
SCHEMBL8242914 0.64 KDM4E (0.64) LMNAPARP1HTTPARP2ALDH1A1
SCHEMBL31252767 0.64 KDM4E (0.64) LMNAPARP1HTTPARP2ALDH1A1
SCHEMBL20128662 0.63 DDB1 (0.30) —
SCHEMBL24379429 0.61 CRBN (0.37) —
SCHEMBL21676711 0.61 CDC25B (0.46) LMNAL3MBTL1ALDH1A1KMT2ATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155751-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AstraZeneca AB (SE) 2010-02-24 — — EP disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 — — US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 — — WO 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 LMNA 4019/4885PARP1 3728/4885HTT 1541/4885

“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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