SCHEMBL5744901

SCHEMBL5744901

CCC(C)N1CCN(c2ccc(N)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
KDM4E B2RXH2 6/20 0.59
GFER P55789 4/20 0.59
GAA P10253 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
RAD52 P43351 2/20 0.59
ALDH1A1 P00352 6/20 0.55
KMT2A Q03164 2/20 0.55
ADRA2C P18825 1/20 0.55
PTK2B Q14289 1/20 0.55
ESR2 Q92731 1/20 0.55
LMNA P02545 4/20 0.50
HTT P42858 3/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASP6 P55212 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL23544863 0.86 MAPT (0.46) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL81372 0.84 MAPT (0.47) MAPTKDM4EGAASMN1; SMN2ALDH1A1
SCHEMBL1048101 0.84 MAPT (0.61) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL28335402 0.83 MAPT (0.51) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL10269322 0.82 CHRNA7 (0.56) KDM4EGFERRAD52ALDH1A1ADRA2C
SCHEMBL1991688 0.82 MAPT (0.50) MAPTKDM4EGFERGAASMN1; SMN2
SCHEMBL188924 0.82 MAPT (0.67) MAPTKDM4EGFERGAASMN1; SMN2
Bromide SCHEMBL11208376 0.81 KDM4E (0.67) MAPTKDM4EGAASMN1; SMN2RAD52
SCHEMBL13654227 0.80 MAPT (0.59) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL12386855 0.80 CHRNA7 (0.46) MAPTKDM4EGFERRAD52ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPT 3064/4885KDM4E 973/4885GFER 4289/4885
US-20020151554-A1 Diaminothiazoles having antiproliferative activity CDK4, CDK2, CDKL4 MAPT 3064/4885KDM4E 973/4885GFER 4289/4885
US-20040082595-A1 Intermediates useful in the preparation of diaminothiazoles CDK4, CDK2, CDKL4 MAPT 2939/4885KDM4E 1021/4885GFER 3986/4885

“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.