SCHEMBL12282952

SCHEMBL12282952

CN(C)C(=N)n1nnc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.66
▸ KMT2A Q03164 3/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ GAA P10253 10/20 0.50
▸ MGAM O43451 9/20 0.50
▸ AMY1A P0DUB6 9/20 0.50
▸ SI P14410 9/20 0.50
▸ MGAM2 Q2M2H8 9/20 0.50
▸ SLC9A1 P19634 3/20 0.50
▸ F2 P00734 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.46

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
SCHEMBL15218673 0.80 DGAT1 (0.72) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2732640 0.80 DGAT1 (1.00) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL425007 0.79 KMT2A (0.61) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3893181 0.77 DGAT1 (0.57) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30597935 0.77 DGAT1 (0.53) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1520814 0.77 DGAT1 (0.72) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21737729 0.76 DGAT1 (0.66) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2970279 0.76 DGAT1 (0.66) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL27973795 0.75 DGAT1 (0.70) DGAT1KMT2AMAPTKDM4EALDH1A1
SCHEMBL9618160 0.75 DGAT1 (0.70) DGAT1KMT2AMAPTKDM4EALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 — — EP disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 — — EP disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 — — US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 — — US disclosed
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2018-08-02 — — US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 — — US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 — — US disclosed
US-9963440-B2 Multisubstituted aromatic compounds as inhibitors of thrombin VERSEON CORPORATION (US) 2018-05-08 — — US disclosed
US-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2018-03-08 — — US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 — — US disclosed
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON INTERNATIONAL CORPORATION 2016-05-05 — — US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 — — US disclosed
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON INTERNATIONAL CORPORATION 2016-01-28 — — US disclosed
WO-2014145986-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS VERSEON, INC. (US) 2014-09-18 — — WO disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 — — US disclosed
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON CORPORATION (US) 2013-02-14 — — US disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 — — WO disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — 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 (8 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-20180064698-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 DGAT1 4427/4885KMT2A 748/4885MAPT 1545/4885
US-20180214418-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 DGAT1 3706/4885KMT2A 2501/4885MAPT 1854/4885
US-20160122333-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 DGAT1 3706/4885KMT2A 2501/4885MAPT 1854/4885
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 DGAT1 2586/4885KMT2A 508/4885MAPT 599/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 DGAT1 3762/4885KMT2A 4406/4885MAPT 2970/4885
US-20160024047-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS SERINE PROTEASE INHIBITORS SPINT2, PRSS1, SERPINB1 DGAT1 4427/4885KMT2A 748/4885MAPT 1545/4885
US-20130040950-A1 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN TFPI, PLAT, SERPINC1 DGAT1 3706/4885KMT2A 2501/4885MAPT 1854/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 DGAT1 3762/4885KMT2A 4406/4885MAPT 2970/4885

“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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