SCHEMBL1058731

SCHEMBL1058731

CN(C(=O)c1ccccc1)c1ccc2c(c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPY2R P49146 1/20 0.43
DHODH Q02127 1/20 0.42
GPR119 Q8TDV5 5/20 0.41
KDM1A O60341 1/20 0.41
USP30 Q70CQ3 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CHRM4 P08173 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2C P28335 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39

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
SCHEMBL6108094 0.81 GPR119 (0.46) MEN1KMT2ADHODHGPR119MAPT
SCHEMBL1051317 0.80 RAB9A (0.60) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL30527088 0.78 DHODH (0.49) DHODHGPR119MAPTALDH1A1HPGD
SCHEMBL380505 0.78 DHODH (0.49) DHODHGPR119MAPTALDH1A1HPGD
SCHEMBL1058729 0.78 ALDH1A1 (0.46) DHODHGPR119MAPTALDH1A1HPGD
SCHEMBL19689635 0.77 GPR119 (0.43) POLBL3MBTL1DHODHGPR119MAPT
SCHEMBL7481242 0.77 CHRM4 (0.41) POLBDHODHGPR119KDM1AMAPT
SCHEMBL30900483 0.76 NOTUM (0.61) POLBL3MBTL1MEN1KMT2AKDM1A
SCHEMBL552069 0.76 NOTUM (0.61) POLBL3MBTL1MEN1KMT2AKDM1A
SCHEMBL19689700 0.76 GPR119 (0.47) DHODHGPR119MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691814-B2 Deazapurines and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-04-08 US disclosed
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
EP-1474425-B9 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2008-07-02 EP 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
EP-1707566-A1 Deazapurines and uses thereof Eisai Co., Ltd. (JP) 2006-10-04 EP disclosed
EP-1474425-B1 DEAZAPURINES AND USES THEREOF EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-20050124649-A1 Deazapurines and uses thereof EISAI CO., LTD (JP) 2005-06-09 US disclosed
EP-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
US-20040186127-A1 Novel deazapurines and uses thereof EISAI CO., LTD. (JP) 2004-09-23 US disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 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 (4 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 POLB 1446/4885L3MBTL1 2836/4885MEN1 3643/4885
US-20050124649-A1 Deazapurines and uses thereof TPMT, CD38, CD2 POLB 1448/4885L3MBTL1 2867/4885MEN1 3746/4885
US-20080103137-A1 Deazapurines and uses thereof TPMT, TYMP, ENTPD5 POLB 436/4885L3MBTL1 4096/4885MEN1 3607/4885
US-20040186127-A1 Novel deazapurines and uses thereof TPMT, ENTPD5, MTAP POLB 451/4885L3MBTL1 1271/4885MEN1 3362/4885

“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.