SCHEMBL12639958

SCHEMBL12639958

CCN(C[C@H](N)C(=O)NC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NOX1 Q9Y5S8 1/20 0.49
▸ CNR2 P34972 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ LTA4H P09960 1/20 0.40

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
SCHEMBL12639957 0.87 PKM (0.44) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL12961529 0.82 LTA4H (0.51) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL12639955 0.82 LTA4H (0.51) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL11801659 0.73 TSHR (0.52) MEN1KMT2ANPC1RAB9ANOX1
Diethylaniline SCHEMBL28333434 0.73 MEN1 (0.59) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL502944 0.72 TSHR (0.47) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL2079917 0.72 TSHR (0.47) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL502945 0.72 TSHR (0.47) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL31369932 0.72 KIF11 (0.45) MEN1KMT2ANPC1RAB9ANOX1
SCHEMBL5513063 0.72 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9ANOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105427-A1 DEAZAPURINES AND USES THEREOF DAUN JANE 2011-05-05 — — US disclosed
US-7868002-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-11 — — US disclosed
US-20080103137-A1 Deazapurines and uses thereof EISAI CO., LTD. 2008-05-01 — — US disclosed
US-7314936-B2 Deazapurines and uses thereof EISAI CO., LTD. (JP) 2008-01-01 — — 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 (2 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-20110105427-A1 DEAZAPURINES AND USES THEREOF TPMT, CD38, CD2 MEN1 3643/4885KMT2A 1590/4885NPC1 4720/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 MEN1 3607/4885KMT2A 963/4885NPC1 3612/4885

“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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