SCHEMBL5741339

SCHEMBL5741339

CC(C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.62
IGF1R P08069 1/20 0.61
MAPT P10636 5/20 0.58
ALDH1A1 P00352 4/20 0.58
HTT P42858 1/20 0.58
POLB P06746 3/20 0.58
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 2/20 0.56
HTR1A P08908 1/20 0.54
ADRB1 P08588 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL519460 0.88 IGF1R (0.65) SIRT6IGF1RMAPTALDH1A1HTT
SCHEMBL519461 0.88 IGF1R (0.65) SIRT6IGF1RMAPTALDH1A1HTT
SCHEMBL519813 0.88 IGF1R (0.65) SIRT6IGF1RMAPTALDH1A1HTT
SCHEMBL1046934 0.85 HTR1A (0.65) SIRT6IGF1RMAPTPOLBLMNA
SCHEMBL7768027 0.85 IGF1R (0.55) SIRT6IGF1RMAPTALDH1A1HTT
SCHEMBL3756774 0.85 MAPT (0.56) SIRT6IGF1RMAPTALDH1A1HTT
SCHEMBL374222 0.83 SIRT6 (0.68) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL6151230 0.82 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL15271381 0.82 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL2509037 0.82 SIRT6 (0.66) SIRT6IGF1RMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100482651-C Diaminothiazoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
US-7105670-B2 Intermediates useful in the preparation of diaminothiazoles HOFFMANN-LA ROCHE INC. (US) 2006-09-12 US disclosed
US-7094896-B2 Diaminothiazoles having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-08-22 US disclosed
EP-1358169-B1 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE HOFFMANN LA ROCHE (CH) 2006-01-11 EP disclosed
US-6756374-B2 CYCLIN-DEPENDENT KINASE INHIBITORS SUCH AS (4-AMINO-2-((4-(4-METHYL-1-PIPERAZINYL)PHENYL)AMINO)-5-THIAZOLYL) (2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)METHANONE FOR TREATMENT OF BREAST, LUNG, COLON, AND PROSTATE CANCER/TUMORS HOFFMANN-LA ROCHE INC. 2004-06-29 US disclosed
US-20040087594-A1 Diaminothiazoles having antiproliferative activity DING QINGJIE (US) 2004-05-06 US disclosed
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles DING QINGJIE (US) 2004-04-29 US disclosed
CN-1487927-A Diaminothiazoles - 2004-04-07 CN disclosed
EP-1358169-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CHEN LI (US) 2002-10-17 US disclosed
WO-2002057261-A2 DIAMINOTHIAZOLES AND THEIR USE AS INHIBITORS OF CYCLIN-DEPENDENT KINASE F. HOFFMANN-LA ROCHE AG (CH) 2002-07-25 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 (3 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-20040087594-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 SIRT6 732/4885IGF1R 825/4885MAPT 3064/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 SIRT6 732/4885IGF1R 825/4885MAPT 3064/4885
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles CDK4, CDK2, CDKL4 SIRT6 612/4885IGF1R 533/4885MAPT 2939/4885

“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.